1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene

C82H108F12 — CID 159532449

IUPAC1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCC1CCC(C2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C=C(F)F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C21H27F3.C21H28F2.C20H26F4.C20H27F3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-19(13-21(23)24)20(22)12-18;1-15-2-6-17(7-3-15)19-10-12-20(13-11-19)18-8-4-16(5-9-18)14-21(22)23;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(19(21)12-17)20(22,23)24;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(21,22)23/h10-17H,2-9H2,1H3;4-5,8-9,14-15,17,19-20H,2-3,6-7,10-13H2,1H3;10-16H,2-9H2,1H3;10-17H,2-9H2,1H3
InChIKeyMDEBUYVPLAWIQR-UHFFFAOYSA-N
MW1321.74 g/mol
LogP27.94
Rot. Bonds10

About 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene

1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 159532449) has the molecular formula C82H108F12 and a molecular weight of 1321.74 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID159532449
Molecular FormulaC82H108F12
Molecular Weight1321.74 g/mol
Exact Mass1320.83
IUPAC Name1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCC1CCC(C2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C=C(F)F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C21H27F3.C21H28F2.C20H26F4.C20H27F3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-19(13-21(23)24)20(22)12-18;1-15-2-6-17(7-3-15)19-10-12-20(13-11-19)18-8-4-16(5-9-18)14-21(22)23;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(19(21)12-17)20(22,23)24;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(21,22)23/h10-17H,2-9H2,1H3;4-5,8-9,14-15,17,19-20H,2-3,6-7,10-13H2,1H3;10-16H,2-9H2,1H3;10-17H,2-9H2,1H3
InChIKeyMDEBUYVPLAWIQR-UHFFFAOYSA-N
XLogP27.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001321.74
LogP ≤ 527.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

4-(4-butylcyclohexyl)-1-(2,2-difluoroethenyl)-2-fluorobenzene
CID 19842847
5-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methyl]-1,2,3-trifluorobenzene
CID 21134601
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569
2-fluoro-4-[4-[4-(4-methylpentyl)cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19702487
4-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]methoxy]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 122502192
2-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]-1,3-dioxane
CID 20656772
2-fluoro-4-[4-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 22915757
2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-1-(trifluoromethyl)benzene
CID 162576999
[3-fluoro-4-(trifluoromethyl)phenoxy]-[4-(4-methylcyclohexyl)phenyl]methanol
CID 162547687
2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500358
1-(2,2-difluoroethenyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]benzene
CID 19842688
difluoro-[4-(4-methylcyclohexyl)phenyl]methanol
CID 70852484

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene (CID 159532449) is 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene is CC1CCC(C2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C=C(F)F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(c3ccc(C=C(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is MDEBUYVPLAWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3.C21H28F2.C20H26F4.C20H27F3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-19(13-21(23)24)20(22)12-18;1-15-2-6-17(7-3-15)19-10-12-20(13-11-19)18-8-4-16(5-9-18)14-21(22)23;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(19(21)12-17)20(22,23)24;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(21,22)23/h10-17H,2-9H2,1H3;4-5,8-9,14-15,17,19-20H,2-3,6-7,10-13H2,1H3;10-16H,2-9H2,1H3;10-17H,2-9H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 1321.74 g/mol, XLogP of 27.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-(2,2-difluoroethenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159532449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).