[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone

C21H20F4O — CID 134358800

IUPAC[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone
SMILESCc1ccc(-c2ccc(C(=O)C3CCC(C)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C21H20F4O/c1-11-3-6-13(7-4-11)21(26)16-10-9-15(19(24)20(16)25)14-8-5-12(2)17(22)18(14)23/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeyZDANXBYPARSORI-UHFFFAOYSA-N
MW364.38 g/mol
LogP6.23
Rot. Bonds3

About [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone

[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone (PubChem CID 134358800) has the molecular formula C21H20F4O and a molecular weight of 364.38 g/mol. Its IUPAC name is [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone
PubChem CID134358800
Molecular FormulaC21H20F4O
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Name[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone
SMILESCc1ccc(-c2ccc(C(=O)C3CCC(C)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C21H20F4O/c1-11-3-6-13(7-4-11)21(26)16-10-9-15(19(24)20(16)25)14-8-5-12(2)17(22)18(14)23/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeyZDANXBYPARSORI-UHFFFAOYSA-N
XLogP6.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone (CID 134358800) is [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone is Cc1ccc(-c2ccc(C(=O)C3CCC(C)CC3)c(F)c2F)c(F)c1F.
What is the InChIKey of [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone?
The InChIKey is ZDANXBYPARSORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4O/c1-11-3-6-13(7-4-11)21(26)16-10-9-15(19(24)20(16)25)14-8-5-12(2)17(22)18(14)23/h5,8-11,13H,3-4,6-7H2,1-2H3.
What are the key properties of [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone?
[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone has a molecular weight of 364.38 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 134358800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).