cycloheptyl-(4-fluoro-3-methylphenyl)methanone

C15H19FO — CID 65399772

IUPACcycloheptyl-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)C2CCCCCC2)ccc1F
InChIInChI=1S/C15H19FO/c1-11-10-13(8-9-14(11)16)15(17)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyUKFASLQWAZKCKD-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.29
Rot. Bonds2

About cycloheptyl-(4-fluoro-3-methylphenyl)methanone

cycloheptyl-(4-fluoro-3-methylphenyl)methanone (PubChem CID 65399772) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is cycloheptyl-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(4-fluoro-3-methylphenyl)methanone
PubChem CID65399772
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Namecycloheptyl-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)C2CCCCCC2)ccc1F
InChIInChI=1S/C15H19FO/c1-11-10-13(8-9-14(11)16)15(17)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyUKFASLQWAZKCKD-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

4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 64775002
(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 65400283
cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
CID 94285899
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of cycloheptyl-(4-fluoro-3-methylphenyl)methanone (CID 65399772) is cycloheptyl-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for cycloheptyl-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for cycloheptyl-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)C2CCCCCC2)ccc1F.
What is the InChIKey of cycloheptyl-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is UKFASLQWAZKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-11-10-13(8-9-14(11)16)15(17)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of cycloheptyl-(4-fluoro-3-methylphenyl)methanone?
cycloheptyl-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 65399772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).