3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid

C11H12F3NO3 — CID 103232115

IUPAC3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid
SMILESO=C(O)CC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-2-4-9(8)15-6-7(16)5-10(17)18/h1-4,7,15-16H,5-6H2,(H,17,18)
InChIKeyJTLVEPGBEUKRFI-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.95
Rot. Bonds5

About 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid

3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid (PubChem CID 103232115) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid
PubChem CID103232115
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid
SMILESO=C(O)CC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-2-4-9(8)15-6-7(16)5-10(17)18/h1-4,7,15-16H,5-6H2,(H,17,18)
InChIKeyJTLVEPGBEUKRFI-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid (CID 103232115) is 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid is O=C(O)CC(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid?
The InChIKey is JTLVEPGBEUKRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-2-4-9(8)15-6-7(16)5-10(17)18/h1-4,7,15-16H,5-6H2,(H,17,18).
What are the key properties of 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid?
3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid has a molecular weight of 263.21 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[2-(trifluoromethyl)anilino]butanoic acid is sourced from PubChem (CID 103232115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).