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

C22H30F4O — CID 22886894

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCC1CCC(C2CCC(CCc3cc(F)c(OC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H30F4O/c1-14-2-8-17(9-3-14)18-10-6-15(7-11-18)4-5-16-12-19(23)21(20(24)13-16)27-22(25)26/h12-15,17-18,22H,2-11H2,1H3
InChIKeyFGSTZTOKBATAEX-UHFFFAOYSA-N
MW386.47 g/mol
LogP7.13
Rot. Bonds6

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

2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 22886894) has the molecular formula C22H30F4O and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID22886894
Molecular FormulaC22H30F4O
Molecular Weight386.47 g/mol
Exact Mass386.22
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCC1CCC(C2CCC(CCc3cc(F)c(OC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H30F4O/c1-14-2-8-17(9-3-14)18-10-6-15(7-11-18)4-5-16-12-19(23)21(20(24)13-16)27-22(25)26/h12-15,17-18,22H,2-11H2,1H3
InChIKeyFGSTZTOKBATAEX-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54007665
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-oct-4-enylcyclohexyl)ethyl]benzene
CID 54571608
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene
CID 162577162
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-oct-5-enylcyclohexyl)ethyl]benzene
CID 54220741
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-[(E)-oct-5-enyl]cyclohexyl]ethyl]benzene
CID 67589893
CID 23364828
CID 23364828
2-[4-(difluoromethoxy)-3,5-difluorophenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837498
2-(difluoromethoxy)-1,3-difluoro-5-[6-fluoro-3-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexa-1,5-dien-1-yl]benzene
CID 162547613
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
CID 18344238
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene (CID 22886894) is 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene is CC1CCC(C2CCC(CCc3cc(F)c(OC(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is FGSTZTOKBATAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F4O/c1-14-2-8-17(9-3-14)18-10-6-15(7-11-18)4-5-16-12-19(23)21(20(24)13-16)27-22(25)26/h12-15,17-18,22H,2-11H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene?
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 386.47 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 22886894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).