(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one

C11H11F3O2 — CID 11593826

IUPAC(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(=O)C[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c1-7(15)6-10(16)8-2-4-9(5-3-8)11(12,13)14/h2-5,10,16H,6H2,1H3/t10-/m1/s1
InChIKeyKTDAIWSFSAWDBT-SNVBAGLBSA-N
MW232.20 g/mol
LogP2.72
Rot. Bonds3

About (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one

(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one (PubChem CID 11593826) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
PubChem CID11593826
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(=O)C[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c1-7(15)6-10(16)8-2-4-9(5-3-8)11(12,13)14/h2-5,10,16H,6H2,1H3/t10-/m1/s1
InChIKeyKTDAIWSFSAWDBT-SNVBAGLBSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 115817570
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 167840355
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The IUPAC name of (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one (CID 11593826) is (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The canonical SMILES for (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one is CC(=O)C[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The InChIKey is KTDAIWSFSAWDBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-7(15)6-10(16)8-2-4-9(5-3-8)11(12,13)14/h2-5,10,16H,6H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one?
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one has a molecular weight of 232.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one is sourced from PubChem (CID 11593826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).