1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene

C24H28F4O2 — CID 66962516

IUPAC1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C(CF)C2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F
InChIInChI=1S/C24H28F4O2/c1-3-29-21-11-9-17(13-20(21)26)19(14-25)16-7-5-15(6-8-16)18-10-12-22(30-4-2)24(28)23(18)27/h9-13,15-16,19H,3-8,14H2,1-2H3
InChIKeyCJTCVTBCNBUMMU-UHFFFAOYSA-N
MW424.48 g/mol
LogP6.93
Rot. Bonds8

About 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene

1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene (PubChem CID 66962516) has the molecular formula C24H28F4O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene
PubChem CID66962516
Molecular FormulaC24H28F4O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C(CF)C2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F
InChIInChI=1S/C24H28F4O2/c1-3-29-21-11-9-17(13-20(21)26)19(14-25)16-7-5-15(6-8-16)18-10-12-22(30-4-2)24(28)23(18)27/h9-13,15-16,19H,3-8,14H2,1-2H3
InChIKeyCJTCVTBCNBUMMU-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
CID 59346093
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
1-ethoxy-2,3-difluoro-4-[4-[1-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 19103586
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040
[4-[2,3-difluoro-4-(4-hydroxycyclohexyl)phenyl]cyclohexyl] 4-ethoxy-3-fluorobenzoate
CID 143909618
1-[2,3-difluoro-4-[4-(3-fluoroprop-1-enyl)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123960892
1-ethoxy-2,3-difluoro-4-[4-(3-fluoro-4-prop-1-enylphenyl)cyclohexyl]benzene
CID 76658371

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene (CID 66962516) is 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene is CCOc1ccc(C(CF)C2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F.
What is the InChIKey of 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene?
The InChIKey is CJTCVTBCNBUMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4O2/c1-3-29-21-11-9-17(13-20(21)26)19(14-25)16-7-5-15(6-8-16)18-10-12-22(30-4-2)24(28)23(18)27/h9-13,15-16,19H,3-8,14H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene?
1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene has a molecular weight of 424.48 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-[1-(4-ethoxy-3-fluorophenyl)-2-fluoroethyl]cyclohexyl]-2,3-difluorobenzene is sourced from PubChem (CID 66962516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).