2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone

C16H20F2O — CID 115794245

IUPAC2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)CC2CCCCCC2)c1F
InChIInChI=1S/C16H20F2O/c1-11-8-9-13(17)15(16(11)18)14(19)10-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyWAIZXNWFYKWBQW-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.82
Rot. Bonds3

About 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone

2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone (PubChem CID 115794245) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
PubChem CID115794245
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)CC2CCCCCC2)c1F
InChIInChI=1S/C16H20F2O/c1-11-8-9-13(17)15(16(11)18)14(19)10-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyWAIZXNWFYKWBQW-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanone
CID 43338505
1-(2,6-difluoro-3-methylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562387
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
1-(4-bromo-2,6-difluorophenyl)-2-cyclopentylethanone
CID 114969301
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
1-(2,6-difluoro-3-methylphenyl)-2-(propylamino)ethanone
CID 116562947
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
[2-(aminomethyl)azepan-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116640075
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone (CID 115794245) is 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone is Cc1ccc(F)c(C(=O)CC2CCCCCC2)c1F.
What is the InChIKey of 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone?
The InChIKey is WAIZXNWFYKWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O/c1-11-8-9-13(17)15(16(11)18)14(19)10-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone?
2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone has a molecular weight of 266.33 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 115794245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).