(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone

C15H18F2O — CID 107515108

IUPAC(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCCC2)c(F)c1F
InChIInChI=1S/C15H18F2O/c1-10-6-7-11(13(17)12(10)16)14(18)15(2)8-4-3-5-9-15/h6-7H,3-5,8-9H2,1-2H3
InChIKeySCPUXLXKEDYHFE-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.43
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone

(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone (PubChem CID 107515108) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
PubChem CID107515108
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCCC2)c(F)c1F
InChIInChI=1S/C15H18F2O/c1-10-6-7-11(13(17)12(10)16)14(18)15(2)8-4-3-5-9-15/h6-7H,3-5,8-9H2,1-2H3
InChIKeySCPUXLXKEDYHFE-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 107514916
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 107515000
(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
CID 106826594
(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447852
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193
(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 113432662
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone (CID 107515108) is (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone is Cc1ccc(C(=O)C2(C)CCCCC2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is SCPUXLXKEDYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-10-6-7-11(13(17)12(10)16)14(18)15(2)8-4-3-5-9-15/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone?
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 252.30 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 107515108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).