[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone

C15H16F2O — CID 106651781

IUPAC[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
SMILESO=C(/C1=C/CCCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H16F2O/c16-13-8-12(9-14(17)10-13)15(18)11-6-4-2-1-3-5-7-11/h6,8-10H,1-5,7H2/b11-6+
InChIKeyIFIIIQPTBVKMRM-IZZDOVSWSA-N
MW250.29 g/mol
LogP4.43
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone

[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone (PubChem CID 106651781) has the molecular formula C15H16F2O and a molecular weight of 250.29 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
PubChem CID106651781
Molecular FormulaC15H16F2O
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
SMILESO=C(/C1=C/CCCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H16F2O/c16-13-8-12(9-14(17)10-13)15(18)11-6-4-2-1-3-5-7-11/h6,8-10H,1-5,7H2/b11-6+
InChIKeyIFIIIQPTBVKMRM-IZZDOVSWSA-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

cyclopenten-1-yl-(5-fluoro-3-pyridinyl)methanone
CID 103448129
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
(3-bromo-5-chlorophenyl)-[(1E)-cycloocten-1-yl]methanone
CID 114019180
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62080486
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
cyclohepten-1-yl-(5-methylfuran-3-yl)methanone
CID 114819598
cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 62078132
cyclohexen-1-yl(naphthalen-2-yl)methanone
CID 62078640
bis(3,5-difluorophenyl)methanone
CID 2760569
(3-amino-2,6-difluorophenyl)-(cyclohepten-1-yl)methanone
CID 79768522
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 106655875
(3-chloro-4-iodophenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655975

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone (CID 106651781) is [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone is O=C(/C1=C/CCCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone?
The InChIKey is IFIIIQPTBVKMRM-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H16F2O/c16-13-8-12(9-14(17)10-13)15(18)11-6-4-2-1-3-5-7-11/h6,8-10H,1-5,7H2/b11-6+.
What are the key properties of [(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone?
[(1E)-cycloocten-1-yl]-(3,5-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]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 106651781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).