4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene

C26H28F6O2 — CID 143982596

IUPAC4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene
SMILESFc1cc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C26H28F6O2/c27-23-16-22(14-15-24(23)34-26(30,31)32)33-25(28,29)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h10-19H,1-9H2
InChIKeyBHABZJSWJXUYIY-UHFFFAOYSA-N
MW486.50 g/mol
LogP8.71
Rot. Bonds6

About 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene

4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene (PubChem CID 143982596) has the molecular formula C26H28F6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene
PubChem CID143982596
Molecular FormulaC26H28F6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene
SMILESFc1cc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C26H28F6O2/c27-23-16-22(14-15-24(23)34-26(30,31)32)33-25(28,29)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h10-19H,1-9H2
InChIKeyBHABZJSWJXUYIY-UHFFFAOYSA-N
XLogP8.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 118283158
4-[[4-[4-[(E)-2-cyclohexylethenyl]cyclohexyl]phenyl]-difluoromethoxy]-1,2-difluorobenzene
CID 163574682
5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane;5-cyclobutyl-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]oxane
CID 159315793
[3-fluoro-4-(trifluoromethoxy)phenyl] 4-cyclohexylbenzoate
CID 126565049
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
4-[4-[4-(2-cyclopentylbutyl)cyclohexyl]cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 22446775
1-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
CID 18720922
2-chloro-5-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]-1,3-difluorobenzene
CID 162547269
5-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 118283125
5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 158470893
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837275
5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane
CID 160630264

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene (CID 143982596) is 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene is Fc1cc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)ccc1OC(F)(F)F.
What is the InChIKey of 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene?
The InChIKey is BHABZJSWJXUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F6O2/c27-23-16-22(14-15-24(23)34-26(30,31)32)33-25(28,29)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h10-19H,1-9H2.
What are the key properties of 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene?
4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene has a molecular weight of 486.50 g/mol, XLogP of 8.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 143982596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).