5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene

C23H20F8O — CID 123328510

IUPAC5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESCCOC(F)=C(F)c1ccc(C2CCC(c3cc(F)c(C(F)(F)F)c(F)c3)CC2)c(F)c1
InChIInChI=1S/C23H20F8O/c1-2-32-22(28)21(27)14-7-8-16(17(24)9-14)13-5-3-12(4-6-13)15-10-18(25)20(19(26)11-15)23(29,30)31/h7-13H,2-6H2,1H3
InChIKeyVZSOJWQCISEBEJ-UHFFFAOYSA-N
MW464.40 g/mol
LogP8.17
Rot. Bonds5

About 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene

5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene (PubChem CID 123328510) has the molecular formula C23H20F8O and a molecular weight of 464.40 g/mol. Its IUPAC name is 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
PubChem CID123328510
Molecular FormulaC23H20F8O
Molecular Weight464.40 g/mol
Exact Mass464.14
IUPAC Name5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESCCOC(F)=C(F)c1ccc(C2CCC(c3cc(F)c(C(F)(F)F)c(F)c3)CC2)c(F)c1
InChIInChI=1S/C23H20F8O/c1-2-32-22(28)21(27)14-7-8-16(17(24)9-14)13-5-3-12(4-6-13)15-10-18(25)20(19(26)11-15)23(29,30)31/h7-13H,2-6H2,1H3
InChIKeyVZSOJWQCISEBEJ-UHFFFAOYSA-N
XLogP8.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene (CID 123328510) is 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene is CCOC(F)=C(F)c1ccc(C2CCC(c3cc(F)c(C(F)(F)F)c(F)c3)CC2)c(F)c1.
What is the InChIKey of 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The InChIKey is VZSOJWQCISEBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F8O/c1-2-32-22(28)21(27)14-7-8-16(17(24)9-14)13-5-3-12(4-6-13)15-10-18(25)20(19(26)11-15)23(29,30)31/h7-13H,2-6H2,1H3.
What are the key properties of 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene has a molecular weight of 464.40 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-ethoxy-1,2-difluoroethenyl)-2-fluorophenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 123328510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).