2-cyclohexyl-1-(4-fluorophenyl)ethanone

C14H17FO — CID 12505091

IUPAC2-cyclohexyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeySBKROAPUFJFGHY-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.98
Rot. Bonds3

About 2-cyclohexyl-1-(4-fluorophenyl)ethanone

2-cyclohexyl-1-(4-fluorophenyl)ethanone (PubChem CID 12505091) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-fluorophenyl)ethanone
PubChem CID12505091
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name2-cyclohexyl-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeySBKROAPUFJFGHY-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-(cyclohexylmethoxy)-1-(4-fluorophenyl)ethanone
CID 62383925
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
CID 116588289
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
CID 97032911
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-fluorophenyl)ethanone (CID 12505091) is 2-cyclohexyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-fluorophenyl)ethanone is O=C(CC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclohexyl-1-(4-fluorophenyl)ethanone?
The InChIKey is SBKROAPUFJFGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 2-cyclohexyl-1-(4-fluorophenyl)ethanone?
2-cyclohexyl-1-(4-fluorophenyl)ethanone has a molecular weight of 220.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 12505091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).