cyclohexen-1-yl-(2,6-difluorophenyl)methanone

C13H12F2O — CID 62078294

IUPACcyclohexen-1-yl-(2,6-difluorophenyl)methanone
SMILESO=C(C1=CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H12F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h4-5,7-8H,1-3,6H2
InChIKeyMZZYNRPORTXALF-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.65
Rot. Bonds2

About cyclohexen-1-yl-(2,6-difluorophenyl)methanone

cyclohexen-1-yl-(2,6-difluorophenyl)methanone (PubChem CID 62078294) has the molecular formula C13H12F2O and a molecular weight of 222.23 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,6-difluorophenyl)methanone
PubChem CID62078294
Molecular FormulaC13H12F2O
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Namecyclohexen-1-yl-(2,6-difluorophenyl)methanone
SMILESO=C(C1=CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H12F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h4-5,7-8H,1-3,6H2
InChIKeyMZZYNRPORTXALF-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62080486
(3-amino-2,6-difluorophenyl)-(cyclohepten-1-yl)methanone
CID 79768522
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
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
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide
CID 143518363
[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 106652070
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,6-difluorophenyl)methanone?
The IUPAC name of cyclohexen-1-yl-(2,6-difluorophenyl)methanone (CID 62078294) is cyclohexen-1-yl-(2,6-difluorophenyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2,6-difluorophenyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2,6-difluorophenyl)methanone is O=C(C1=CCCCC1)c1c(F)cccc1F.
What is the InChIKey of cyclohexen-1-yl-(2,6-difluorophenyl)methanone?
The InChIKey is MZZYNRPORTXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h4-5,7-8H,1-3,6H2.
What are the key properties of cyclohexen-1-yl-(2,6-difluorophenyl)methanone?
cyclohexen-1-yl-(2,6-difluorophenyl)methanone has a molecular weight of 222.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 62078294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).