cycloheptyl-(2-fluoro-4-methylphenyl)methanone

C15H19FO — CID 115794872

IUPACcycloheptyl-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCCCCC2)c(F)c1
InChIInChI=1S/C15H19FO/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyZHEHTGMFUUCSCY-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.29
Rot. Bonds2

About cycloheptyl-(2-fluoro-4-methylphenyl)methanone

cycloheptyl-(2-fluoro-4-methylphenyl)methanone (PubChem CID 115794872) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is cycloheptyl-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2-fluoro-4-methylphenyl)methanone
PubChem CID115794872
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Namecycloheptyl-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCCCCC2)c(F)c1
InChIInChI=1S/C15H19FO/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyZHEHTGMFUUCSCY-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
CID 171944944
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
(2-fluoro-4-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787768
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824
(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115786050
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
(2-fluoro-5-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944984

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of cycloheptyl-(2-fluoro-4-methylphenyl)methanone (CID 115794872) is cycloheptyl-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for cycloheptyl-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for cycloheptyl-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCCCCC2)c(F)c1.
What is the InChIKey of cycloheptyl-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is ZHEHTGMFUUCSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of cycloheptyl-(2-fluoro-4-methylphenyl)methanone?
cycloheptyl-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 234.31 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 115794872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).