(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one

C11H13FO2 — CID 174650896

IUPAC(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
SMILESCCC(=O)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c1-2-10(13)7-11(14)8-3-5-9(12)6-4-8/h3-6,11,14H,2,7H2,1H3/t11-/m0/s1
InChIKeyJVDABJAYLMZTHB-NSHDSACASA-N
MW196.22 g/mol
LogP2.23
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one

(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one (PubChem CID 174650896) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
PubChem CID174650896
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
SMILESCCC(=O)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c1-2-10(13)7-11(14)8-3-5-9(12)6-4-8/h3-6,11,14H,2,7H2,1H3/t11-/m0/s1
InChIKeyJVDABJAYLMZTHB-NSHDSACASA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
methyl 5-(4-fluorophenyl)-5-hydroxy-3-oxopentanoate
CID 53235616
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
ethyl (Z)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]but-2-enoate
CID 23726231
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1,1-bis(3,4-difluorophenyl)pentan-3-one
CID 142067469
[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]azanium
CID 38989030
ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate
CID 121222001

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one?
The IUPAC name of (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one (CID 174650896) is (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one is CCC(=O)C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one?
The InChIKey is JVDABJAYLMZTHB-NSHDSACASA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-10(13)7-11(14)8-3-5-9(12)6-4-8/h3-6,11,14H,2,7H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one?
(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one has a molecular weight of 196.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one is sourced from PubChem (CID 174650896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).