1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone

C15H19FO — CID 84726990

IUPAC1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2(F)CCCCC2)cc1
InChIInChI=1S/C15H19FO/c1-12(17)14-7-5-13(6-8-14)11-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeySMVCFZQRPVEDRC-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.10
Rot. Bonds3

About 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone

1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone (PubChem CID 84726990) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
PubChem CID84726990
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2(F)CCCCC2)cc1
InChIInChI=1S/C15H19FO/c1-12(17)14-7-5-13(6-8-14)11-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeySMVCFZQRPVEDRC-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1-fluorocyclooctyl)methyl]benzoic acid
CID 144590205
1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
CID 105496458
4-[(1-fluorocyclobutyl)methyl]benzoic acid
CID 84722629
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
1-bromo-4-[(1-fluorocyclohexyl)methyl]benzene
CID 84730092
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone
CID 105493019
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
4-[(1-fluorocyclopentyl)methyl]benzaldehyde
CID 84722284
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
2-[4-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
CID 84727142

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone (CID 84726990) is 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone is CC(=O)c1ccc(CC2(F)CCCCC2)cc1.
What is the InChIKey of 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone?
The InChIKey is SMVCFZQRPVEDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-12(17)14-7-5-13(6-8-14)11-15(16)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone?
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone has a molecular weight of 234.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone is sourced from PubChem (CID 84726990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).