[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone

C16H16F4O — CID 106652070

IUPAC[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(/C1=C/CCCCCC1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H16F4O/c17-14-9-8-12(16(18,19)20)10-13(14)15(21)11-6-4-2-1-3-5-7-11/h6,8-10H,1-5,7H2/b11-6+
InChIKeyHULSASYPGGGAGB-IZZDOVSWSA-N
MW300.30 g/mol
LogP5.31
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone

[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone (PubChem CID 106652070) has the molecular formula C16H16F4O and a molecular weight of 300.30 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
PubChem CID106652070
Molecular FormulaC16H16F4O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(/C1=C/CCCCCC1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H16F4O/c17-14-9-8-12(16(18,19)20)10-13(14)15(21)11-6-4-2-1-3-5-7-11/h6,8-10H,1-5,7H2/b11-6+
InChIKeyHULSASYPGGGAGB-IZZDOVSWSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.30
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-amino-5-(trifluoromethyl)phenyl]-[(1E)-cycloocten-1-yl]methanone
CID 106652173
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781
(3-amino-2,6-difluorophenyl)-(cyclohepten-1-yl)methanone
CID 79768522
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
CID 62077963
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62080486
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone (CID 106652070) is [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone is O=C(/C1=C/CCCCCC1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of [(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is HULSASYPGGGAGB-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H16F4O/c17-14-9-8-12(16(18,19)20)10-13(14)15(21)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]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.30 g/mol, XLogP of 5.31, 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-fluoro-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 106652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).