2-cycloheptyl-1-(2,4-difluorophenyl)ethanone

C15H18F2O — CID 114457285

IUPAC2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CC1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2O/c16-12-7-8-13(14(17)10-12)15(18)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2
InChIKeyZKXYWTMTQWNQEC-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.51
Rot. Bonds3

About 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone

2-cycloheptyl-1-(2,4-difluorophenyl)ethanone (PubChem CID 114457285) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
PubChem CID114457285
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CC1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2O/c16-12-7-8-13(14(17)10-12)15(18)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2
InChIKeyZKXYWTMTQWNQEC-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanone
CID 43338505
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
CID 64636932
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone (CID 114457285) is 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone is O=C(CC1CCCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone?
The InChIKey is ZKXYWTMTQWNQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c16-12-7-8-13(14(17)10-12)15(18)9-11-5-3-1-2-4-6-11/h7-8,10-11H,1-6,9H2.
What are the key properties of 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone?
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone has a molecular weight of 252.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 114457285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).