1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one

C16H20F2O — CID 114458081

IUPAC1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)CC1CCCCCC1
InChIInChI=1S/C16H20F2O/c17-14-8-7-13(16(18)11-14)10-15(19)9-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2
InChIKeyRUFKMRSQBJZECG-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.44
Rot. Bonds4

About 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one

1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one (PubChem CID 114458081) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
PubChem CID114458081
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)CC1CCCCCC1
InChIInChI=1S/C16H20F2O/c17-14-8-7-13(16(18)11-14)10-15(19)9-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2
InChIKeyRUFKMRSQBJZECG-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
CID 114863265
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanone
CID 43338505

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one?
The IUPAC name of 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one (CID 114458081) is 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one?
The canonical SMILES for 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1F)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one?
The InChIKey is RUFKMRSQBJZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O/c17-14-8-7-13(16(18)11-14)10-15(19)9-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2.
What are the key properties of 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one?
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one has a molecular weight of 266.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one is sourced from PubChem (CID 114458081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).