[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone

C15H16F2O — CID 106652041

IUPAC[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(/C1=C/CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2O/c16-12-9-6-10-13(17)14(12)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10H,1-5,8H2/b11-7+
InChIKeyBEGYXMPCNXBTJL-YRNVUSSQSA-N
MW250.29 g/mol
LogP4.43
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone

[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 106652041) has the molecular formula C15H16F2O and a molecular weight of 250.29 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID106652041
Molecular FormulaC15H16F2O
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(/C1=C/CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2O/c16-12-9-6-10-13(17)14(12)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10H,1-5,8H2/b11-7+
InChIKeyBEGYXMPCNXBTJL-YRNVUSSQSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
(3-amino-2,6-difluorophenyl)-(cyclohepten-1-yl)methanone
CID 79768522
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62080486
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 106652070
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohepten-1-yl(furan-2-yl)methanone
CID 62080320
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone
CID 106651945
cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 81481190
cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 62078132
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone (CID 106652041) is [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone is O=C(/C1=C/CCCCCC1)c1c(F)cccc1F.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is BEGYXMPCNXBTJL-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H16F2O/c16-12-9-6-10-13(17)14(12)15(18)11-7-4-2-1-3-5-8-11/h6-7,9-10H,1-5,8H2/b11-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone?
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 250.29 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 106652041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).