(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one

C10H11FO2 — CID 93049323

IUPAC(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
SMILESCC(=O)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,10,13H,6H2,1H3/t10-/m0/s1
InChIKeyNBYRSOPKYRUHDE-JTQLQIEISA-N
MW182.19 g/mol
LogP1.84
Rot. Bonds3

About (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one

(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one (PubChem CID 93049323) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
PubChem CID93049323
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
SMILESCC(=O)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,10,13H,6H2,1H3/t10-/m0/s1
InChIKeyNBYRSOPKYRUHDE-JTQLQIEISA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
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(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
methyl 5-(4-fluorophenyl)-5-hydroxy-3-oxopentanoate
CID 53235616
1-(4-fluorophenyl)-2-trimethylsilylethanol
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(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11370953
ethyl (Z)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]but-2-enoate
CID 23726231
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
CID 89318743
CID 89318743

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one?
The IUPAC name of (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one (CID 93049323) is (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one is CC(=O)C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one?
The InChIKey is NBYRSOPKYRUHDE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,10,13H,6H2,1H3/t10-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one?
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one has a molecular weight of 182.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one is sourced from PubChem (CID 93049323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).