1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene

C79H104F12O4 — CID 158045404

IUPAC1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
SMILESCCCC1CCC(/C(F)=C/c2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(/C=C/c2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(C2CCC(/C(F)=C/c3ccc(OCC)c(F)c3F)CC2)CC1.CCOc1ccc(C2CCC(C=C(F)F)CC2)c(F)c1F
InChIInChI=1S/C25H35F3O.C19H25F3O.C19H26F2O.C16H18F4O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22(26)16-21-14-15-23(29-4-2)25(28)24(21)27;1-3-5-13-6-8-14(9-7-13)16(20)12-15-10-11-17(23-4-2)19(22)18(15)21;1-3-5-14-6-8-15(9-7-14)10-11-16-12-13-17(22-4-2)19(21)18(16)20;1-2-21-13-8-7-12(15(19)16(13)20)11-5-3-10(4-6-11)9-14(17)18/h14-20H,3-13H2,1-2H3;10-14H,3-9H2,1-2H3;10-15H,3-9H2,1-2H3;7-11H,2-6H2,1H3/b22-16-;16-12-;11-10+;
InChIKeyFIVQPGYBQCNIPB-YASFXBISSA-N
MW1345.67 g/mol
LogP25.77
Rot. Bonds23

About 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene

1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene (PubChem CID 158045404) has the molecular formula C79H104F12O4 and a molecular weight of 1345.67 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
PubChem CID158045404
Molecular FormulaC79H104F12O4
Molecular Weight1345.67 g/mol
Exact Mass1344.77
IUPAC Name1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
SMILESCCCC1CCC(/C(F)=C/c2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(/C=C/c2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(C2CCC(/C(F)=C/c3ccc(OCC)c(F)c3F)CC2)CC1.CCOc1ccc(C2CCC(C=C(F)F)CC2)c(F)c1F
InChIInChI=1S/C25H35F3O.C19H25F3O.C19H26F2O.C16H18F4O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22(26)16-21-14-15-23(29-4-2)25(28)24(21)27;1-3-5-13-6-8-14(9-7-13)16(20)12-15-10-11-17(23-4-2)19(22)18(15)21;1-3-5-14-6-8-15(9-7-14)10-11-16-12-13-17(22-4-2)19(21)18(16)20;1-2-21-13-8-7-12(15(19)16(13)20)11-5-3-10(4-6-11)9-14(17)18/h14-20H,3-13H2,1-2H3;10-14H,3-9H2,1-2H3;10-15H,3-9H2,1-2H3;7-11H,2-6H2,1H3/b22-16-;16-12-;11-10+;
InChIKeyFIVQPGYBQCNIPB-YASFXBISSA-N
XLogP25.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.67
LogP ≤ 525.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
1-butoxy-4-[4-[(E)-2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89429620
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040
2,3-difluoro-1-(1,1,2,2,2-pentadeuterioethoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 142671423
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470250
1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
CID 67992192
3-(difluoromethyl)-1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 58953303

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
The IUPAC name of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene (CID 158045404) is 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene.
What is the SMILES notation for 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
The canonical SMILES for 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene is CCCC1CCC(/C(F)=C/c2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(/C=C/c2ccc(OCC)c(F)c2F)CC1.CCCC1CCC(C2CCC(/C(F)=C/c3ccc(OCC)c(F)c3F)CC2)CC1.CCOc1ccc(C2CCC(C=C(F)F)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
The InChIKey is FIVQPGYBQCNIPB-YASFXBISSA-N. The full InChI is InChI=1S/C25H35F3O.C19H25F3O.C19H26F2O.C16H18F4O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22(26)16-21-14-15-23(29-4-2)25(28)24(21)27;1-3-5-13-6-8-14(9-7-13)16(20)12-15-10-11-17(23-4-2)19(22)18(15)21;1-3-5-14-6-8-15(9-7-14)10-11-16-12-13-17(22-4-2)19(21)18(16)20;1-2-21-13-8-7-12(15(19)16(13)20)11-5-3-10(4-6-11)9-14(17)18/h14-20H,3-13H2,1-2H3;10-14H,3-9H2,1-2H3;10-15H,3-9H2,1-2H3;7-11H,2-6H2,1H3/b22-16-;16-12-;11-10+;.
What are the key properties of 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene has a molecular weight of 1345.67 g/mol, XLogP of 25.77, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene is sourced from PubChem (CID 158045404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).