2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid

C7H7F2NO3S — CID 64990931

IUPAC2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
SMILESCC(O)(c1nccs1)C(F)(F)C(=O)O
InChIInChI=1S/C7H7F2NO3S/c1-6(13,4-10-2-3-14-4)7(8,9)5(11)12/h2-3,13H,1H3,(H,11,12)
InChIKeyJFTIDMHPXMIFFR-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.07
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid

2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid (PubChem CID 64990931) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
PubChem CID64990931
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC Name2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
SMILESCC(O)(c1nccs1)C(F)(F)C(=O)O
InChIInChI=1S/C7H7F2NO3S/c1-6(13,4-10-2-3-14-4)7(8,9)5(11)12/h2-3,13H,1H3,(H,11,12)
InChIKeyJFTIDMHPXMIFFR-UHFFFAOYSA-N
XLogP1.07
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
1-amino-2-(1,3-thiazol-2-yl)propan-2-ol
CID 45121741
2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole
CID 91318446
2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
CID 160500283
2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
CID 129269629
3-(4-tert-butylphenyl)-2,2-difluoro-3-hydroxybutanoic acid
CID 62398242
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990809

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid (CID 64990931) is 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid is CC(O)(c1nccs1)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
The InChIKey is JFTIDMHPXMIFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c1-6(13,4-10-2-3-14-4)7(8,9)5(11)12/h2-3,13H,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid has a molecular weight of 223.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid is sourced from PubChem (CID 64990931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).