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

C22H32F2 — CID 21136635

IUPAC1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCc1c(F)cc(CCC2CCC(C3CCC(C)CC3)CC2)cc1F
InChIInChI=1S/C22H32F2/c1-15-3-9-19(10-4-15)20-11-7-17(8-12-20)5-6-18-13-21(23)16(2)22(24)14-18/h13-15,17,19-20H,3-12H2,1-2H3
InChIKeyDVNLBQRNSMOJFN-UHFFFAOYSA-N
MW334.49 g/mol
LogP6.84
Rot. Bonds4

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

1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 21136635) has the molecular formula C22H32F2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID21136635
Molecular FormulaC22H32F2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC Name1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCc1c(F)cc(CCC2CCC(C3CCC(C)CC3)CC2)cc1F
InChIInChI=1S/C22H32F2/c1-15-3-9-19(10-4-15)20-11-7-17(8-12-20)5-6-18-13-21(23)16(2)22(24)14-18/h13-15,17,19-20H,3-12H2,1-2H3
InChIKeyDVNLBQRNSMOJFN-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]-2-[(E)-prop-1-enyl]benzene
CID 89134725
1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)
CID 18720783
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene (CID 21136635) is 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene is Cc1c(F)cc(CCC2CCC(C3CCC(C)CC3)CC2)cc1F.
What is the InChIKey of 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is DVNLBQRNSMOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2/c1-15-3-9-19(10-4-15)20-11-7-17(8-12-20)5-6-18-13-21(23)16(2)22(24)14-18/h13-15,17,19-20H,3-12H2,1-2H3.
What are the key properties of 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 334.49 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 21136635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).