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2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid structure
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2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid

TL;DR: 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid (CAS 111688-37-0) is a chemical compound with molecular formula C4H6F3NO3 and molecular weight 173.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-amino-4,4,4-trifluoro-3-hydroxybutanoic acid

Also Known As: 2-amino-4,4,4-trifluoro-3-hydroxybutanoic acid, Trifluorothreonine, 4,4,4-Trifluorothreonine #, anti-4,4,4-trifluorothreonine, Threonine, 4,4,4-trifluoro-

CAS Number
111688-37-0
Molecular Formula
C4H6F3NO3
Molecular Weight
173.02998 g/mol
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Application Areas

Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (3 patents) Analytical Reagents (8 patents) Biotechnology (6 patents) Heterocyclic Building Blocks (43 patents) Organic Building Blocks (3 patents)

Technical Specifications

Molecular FormulaC4H6F3NO3
Molecular Weight173.02998 g/mol
XLogP-2.2
Topological Polar Surface Area (TPSA)83.6 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors7
Rotatable Bonds2
Exact Mass173.02998 Da
Heavy Atoms11
Complexity157.0
SMILESC(C(C(F)(F)F)O)(C(=O)O)N
InChIKeyITYVCUQVLKIGEY-UHFFFAOYSA-N

Chemical Property Profile of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid

XLogP
-2.2
TPSA (Topological Polar Surface Area)
83.6
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
Rotatable Bonds
2
Heavy Atoms
11
Complexity
157.0
Exact Mass
173.02998
Monoisotopic Mass
173.02998
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid

The XLogP value of -2.2 indicates that 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid. Following Lipinski's Rule of Five, 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid?

The CAS number of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid is 111688-37-0.

What is the molecular formula of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid?

The molecular formula of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid is C4H6F3NO3.

What is the molecular weight of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid?

The molecular weight of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid is 173.02998 g/mol.

Where can I buy 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid?

You can request a quote for 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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