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

C22H32F2 — CID 71202451

IUPAC1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(C)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-15(2)22(24)21(23)14-20/h13-14,16-19H,3-12H2,1-2H3
InChIKeyRZTNBNUMKYFUGR-UHFFFAOYSA-N
MW334.49 g/mol
LogP7.15
Rot. Bonds4

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

1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 71202451) has the molecular formula C22H32F2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID71202451
Molecular FormulaC22H32F2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC Name1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(C)c(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-15(2)22(24)21(23)14-20/h13-14,16-19H,3-12H2,1-2H3
InChIKeyRZTNBNUMKYFUGR-UHFFFAOYSA-N
XLogP7.15
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 ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683489
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
1,2,3-trifluoro-5-[4-[4-[(E)-oct-4-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589726
(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 59915717

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 71202451) is 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3cc(C)c(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is RZTNBNUMKYFUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-15(2)22(24)21(23)14-20/h13-14,16-19H,3-12H2,1-2H3.
What are the key properties of 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 334.49 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 71202451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).