1-[4-(4-fluorophenyl)cyclohexyl]ethanone

C14H17FO — CID 15047101

IUPAC1-[4-(4-fluorophenyl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h6-9,11-12H,2-5H2,1H3
InChIKeyUJZQMHKYTNIOHF-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.69
Rot. Bonds2

About 1-[4-(4-fluorophenyl)cyclohexyl]ethanone

1-[4-(4-fluorophenyl)cyclohexyl]ethanone (PubChem CID 15047101) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)cyclohexyl]ethanone
PubChem CID15047101
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name1-[4-(4-fluorophenyl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h6-9,11-12H,2-5H2,1H3
InChIKeyUJZQMHKYTNIOHF-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
[[4-(4-fluorophenyl)cyclohexyl]amino] acetate
CID 91275833
1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 159374732
1-[4-(4-fluorophenyl)cyclohexyl]-2-methylpentan-1-one
CID 20560873
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid
CID 122038955
1-[3-(4-fluorophenyl)azepan-1-yl]propan-1-one
CID 90608725
N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide
CID 19381473
1-(3-chlorocyclopentyl)-4-fluorobenzene
CID 64515664

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)cyclohexyl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)cyclohexyl]ethanone (CID 15047101) is 1-[4-(4-fluorophenyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)cyclohexyl]ethanone is CC(=O)C1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)cyclohexyl]ethanone?
The InChIKey is UJZQMHKYTNIOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h6-9,11-12H,2-5H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)cyclohexyl]ethanone?
1-[4-(4-fluorophenyl)cyclohexyl]ethanone has a molecular weight of 220.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)cyclohexyl]ethanone is sourced from PubChem (CID 15047101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).