(2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one

C11H11FO2 — CID 71467387

IUPAC(2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one
SMILESO=C1CCC[C@]1(O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c12-9-5-3-8(4-6-9)11(14)7-1-2-10(11)13/h3-6,14H,1-2,7H2/t11-/m0/s1
InChIKeySDKRVIHSDFGWTN-NSHDSACASA-N
MW194.21 g/mol
LogP1.77
Rot. Bonds1

About (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one

(2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one (PubChem CID 71467387) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one
PubChem CID71467387
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name(2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one
SMILESO=C1CCC[C@]1(O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c12-9-5-3-8(4-6-9)11(14)7-1-2-10(11)13/h3-6,14H,1-2,7H2/t11-/m0/s1
InChIKeySDKRVIHSDFGWTN-NSHDSACASA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Atrolactic acid
CID 1303
(S)-Atrolactic acid
CID 445144
alpha-Cyclopentylmandelic acid
CID 98283
2-Hydroxy-2-phenylbutanoic acid
CID 287322
3,3,3-Trifluoro-2-hydroxy-2-phenylpropanoic acid
CID 9855943
3-Hydroxy-3-phenylbutan-2-one
CID 233220
1-Hydroxy-1-methylnaphthalen-2(1H)-one
CID 283974
5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one
CID 2853535
1-Hydroxy-1,1-diphenylpropan-2-one
CID 344773
(2S)-2-hydroxy-2-phenylbutanoic acid
CID 7188283
4-Hydroxy-4-phenylcyclohexan-1-one
CID 583741
alpha-Cyclopentylmandelic acid, (-)-
CID 948619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one (CID 71467387) is (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one is O=C1CCC[C@]1(O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one?
The InChIKey is SDKRVIHSDFGWTN-NSHDSACASA-N. The full InChI is InChI=1S/C11H11FO2/c12-9-5-3-8(4-6-9)11(14)7-1-2-10(11)13/h3-6,14H,1-2,7H2/t11-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one?
(2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one has a molecular weight of 194.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-hydroxycyclopentan-1-one is sourced from PubChem (CID 71467387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).