2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene

C22H24F4 — CID 21136716

IUPAC2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
SMILESCc1c(F)cc(-c2c(F)cc(CCC3CCC(C)CC3)cc2F)cc1F
InChIInChI=1S/C22H24F4/c1-13-3-5-15(6-4-13)7-8-16-9-20(25)22(21(26)10-16)17-11-18(23)14(2)19(24)12-17/h9-13,15H,3-8H2,1-2H3
InChIKeyUJCPNSAUVRHFRF-UHFFFAOYSA-N
MW364.43 g/mol
LogP6.98
Rot. Bonds4

About 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene

2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene (PubChem CID 21136716) has the molecular formula C22H24F4 and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
PubChem CID21136716
Molecular FormulaC22H24F4
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
SMILESCc1c(F)cc(-c2c(F)cc(CCC3CCC(C)CC3)cc2F)cc1F
InChIInChI=1S/C22H24F4/c1-13-3-5-15(6-4-13)7-8-16-9-20(25)22(21(26)10-16)17-11-18(23)14(2)19(24)12-17/h9-13,15H,3-8H2,1-2H3
InChIKeyUJCPNSAUVRHFRF-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium(3+)
CID 18720833
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium
CID 59931197
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[2-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]ethyl]benzene
CID 154527366
1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]-2-[(E)-prop-1-enyl]benzene
CID 89134725
1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene
CID 59931361
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
5-[difluoro-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]methoxy]-1,3-difluoro-2-(4-methylphenyl)benzene
CID 20705763
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 23297290

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene (CID 21136716) is 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene is Cc1c(F)cc(-c2c(F)cc(CCC3CCC(C)CC3)cc2F)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene?
The InChIKey is UJCPNSAUVRHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4/c1-13-3-5-15(6-4-13)7-8-16-9-20(25)22(21(26)10-16)17-11-18(23)14(2)19(24)12-17/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene?
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene has a molecular weight of 364.43 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 21136716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).