4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid

C10H9F3O3 — CID 3879446

IUPAC4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
SMILESO=C(O)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)9(16,6-8(14)15)7-4-2-1-3-5-7/h1-5,16H,6H2,(H,14,15)
InChIKeyYWGWRGLPYNFJRQ-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.91
Rot. Bonds3

About 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid

4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid (PubChem CID 3879446) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
PubChem CID3879446
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
SMILESO=C(O)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)9(16,6-8(14)15)7-4-2-1-3-5-7/h1-5,16H,6H2,(H,14,15)
InChIKeyYWGWRGLPYNFJRQ-UHFFFAOYSA-N
XLogP1.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-hydroxy-1-(2-hydroxyphenyl)-3-phenylbutan-1-one
CID 6611473
N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 170020626
3,4,4,4-tetrafluoro-3-phenylbutanoic acid
CID 84736567
3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 83920345
4,4,4-trifluoro-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 53362933
3-amino-3-fluoro-3-phenylpropanoic acid
CID 70119965
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
methyl 4-(4,4,4-trifluoro-3-hydroxy-3-phenylbutanoyl)benzoate
CID 59407430
(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 97339946
(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol
CID 72714253
(4S)-5,5,6,6-tetrafluoro-4-hydroxy-4-phenylhexan-2-one
CID 744416
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid (CID 3879446) is 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid is O=C(O)CC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid?
The InChIKey is YWGWRGLPYNFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)9(16,6-8(14)15)7-4-2-1-3-5-7/h1-5,16H,6H2,(H,14,15).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid?
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid has a molecular weight of 234.17 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid is sourced from PubChem (CID 3879446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).