2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene

C36H46F4 — CID 167660699

About 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene

2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 167660699) has the molecular formula C36H46F4 and a molecular weight of 554.76 g/mol. Its IUPAC name is 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

• Compound Name: 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
• PubChem CID: 167660699
• Molecular Formula: C36H46F4
• Molecular Weight: 554.76 g/mol
• Exact Mass: 554.35
• IUPAC Name: 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
• SMILES: Cc1cc(C)c(C2=CCC(C)CC2)c(F)c1F.Cc1cc(C)c(C2=CCC(C3CCC(C)CC3)CC2)c(F)c1F
• InChI: InChI=1S/C21H28F2.C15H18F2/c1-13-4-6-16(7-5-13)17-8-10-18(11-9-17)19-14(2)12-15(3)20(22)21(19)23;1-9-4-6-12(7-5-9)13-10(2)8-11(3)14(16)15(13)17/h10,12-13,16-17H,4-9,11H2,1-3H3;6,8-9H,4-5,7H2,1-3H3
• InChIKey: RXLGHUNOXWHLNI-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.76
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?

The IUPAC name of 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene (CID 167660699) is 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene.

What is the SMILES notation for 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?

The canonical SMILES for 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene is Cc1cc(C)c(C2=CCC(C)CC2)c(F)c1F.Cc1cc(C)c(C2=CCC(C3CCC(C)CC3)CC2)c(F)c1F.

What is the InChIKey of 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?

The InChIKey is RXLGHUNOXWHLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2.C15H18F2/c1-13-4-6-16(7-5-13)17-8-10-18(11-9-17)19-14(2)12-15(3)20(22)21(19)23;1-9-4-6-12(7-5-9)13-10(2)8-11(3)14(16)15(13)17/h10,12-13,16-17H,4-9,11H2,1-3H3;6,8-9H,4-5,7H2,1-3H3.

What are the key properties of 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene?

2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 554.76 g/mol, XLogP of 11.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 167660699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).