1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one

C17H23FO — CID 82931291

IUPAC1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H23FO/c1-17(2,14-9-11-15(18)12-10-14)16(19)13-7-5-3-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyOTMJFJAXKFZRIB-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.64
Rot. Bonds3

About 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one

1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 82931291) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID82931291
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H23FO/c1-17(2,14-9-11-15(18)12-10-14)16(19)13-7-5-3-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyOTMJFJAXKFZRIB-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 79909150
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216151
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
cis-(1R,3S)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678355
cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676154
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 110469730
2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
CID 80549547
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one (CID 82931291) is 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)(C(=O)C1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is OTMJFJAXKFZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-17(2,14-9-11-15(18)12-10-14)16(19)13-7-5-3-4-6-8-13/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one?
1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 262.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 82931291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).