4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid

C7H6F3NO4 — CID 138008209

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid
SMILESO=C(O)CC(O)(c1ncco1)C(F)(F)F
InChIInChI=1S/C7H6F3NO4/c8-7(9,10)6(14,3-4(12)13)5-11-1-2-15-5/h1-2,14H,3H2,(H,12,13)
InChIKeySWPGOIWAUZIUOZ-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.90
Rot. Bonds3

About 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid

4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid (PubChem CID 138008209) has the molecular formula C7H6F3NO4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid
PubChem CID138008209
Molecular FormulaC7H6F3NO4
Molecular Weight225.12 g/mol
Exact Mass225.02
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid
SMILESO=C(O)CC(O)(c1ncco1)C(F)(F)F
InChIInChI=1S/C7H6F3NO4/c8-7(9,10)6(14,3-4(12)13)5-11-1-2-15-5/h1-2,14H,3H2,(H,12,13)
InChIKeySWPGOIWAUZIUOZ-UHFFFAOYSA-N
XLogP0.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-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

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid (CID 138008209) is 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid is O=C(O)CC(O)(c1ncco1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid?
The InChIKey is SWPGOIWAUZIUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO4/c8-7(9,10)6(14,3-4(12)13)5-11-1-2-15-5/h1-2,14H,3H2,(H,12,13).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid?
4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid has a molecular weight of 225.12 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid is sourced from PubChem (CID 138008209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).