1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one

C11H19FO2 — CID 134835601

IUPAC1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one
SMILESCC(F)C(=O)CC(O)C1CCCCC1
InChIInChI=1S/C11H19FO2/c1-8(12)10(13)7-11(14)9-5-3-2-4-6-9/h8-9,11,14H,2-7H2,1H3
InChIKeySDNLISKCIAHBRX-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.24
Rot. Bonds4

About 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one

1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one (PubChem CID 134835601) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one.

Molecular Properties

Compound Name1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one
PubChem CID134835601
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one
SMILESCC(F)C(=O)CC(O)C1CCCCC1
InChIInChI=1S/C11H19FO2/c1-8(12)10(13)7-11(14)9-5-3-2-4-6-9/h8-9,11,14H,2-7H2,1H3
InChIKeySDNLISKCIAHBRX-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-2-octanone
CID 62148
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
Cyclopentanone, 2-(1-hydroxypentyl)-
CID 162060
Cyclopentanone, 2-(1-hydroxyheptyl)-
CID 11008912
(16S)-1-cyclohexyl-16-hydroxydocosan-3-one
CID 162930733
5-Hydroxy-4-tetradecylicosan-3-one
CID 163111757
5,5-Difluoro-6-hydroxy-2-methyldodecan-4-one
CID 89959957
2-(1-Hydroxyethyl)cyclohexan-1-one
CID 566745
1-Cyclohexyl-2-hydroxybutan-1-one
CID 10899121
4-Hydroxy-3-methylnonan-2-one
CID 11263776
1-(2-Hydroxy-4-methylcyclohexyl)ethanone, (1R,2S,4R)-
CID 59752307
2-(2,2,2-Trifluoro-1-hydroxyethyl)cyclohexane-1,3-dione
CID 129768838

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one?
The IUPAC name of 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one (CID 134835601) is 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one.
What is the SMILES notation for 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one?
The canonical SMILES for 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one is CC(F)C(=O)CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one?
The InChIKey is SDNLISKCIAHBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-8(12)10(13)7-11(14)9-5-3-2-4-6-9/h8-9,11,14H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one?
1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one has a molecular weight of 202.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-fluoro-1-hydroxypentan-3-one is sourced from PubChem (CID 134835601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).