5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane

C24H32F4O2 — CID 118316616

IUPAC5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane
SMILESCCOc1ccc(C2CCC(C3CCC(CC/C=C(\F)CF)CC3)CO2)c(F)c1F
InChIInChI=1S/C24H32F4O2/c1-2-29-22-13-11-20(23(27)24(22)28)21-12-10-18(15-30-21)17-8-6-16(7-9-17)4-3-5-19(26)14-25/h5,11,13,16-18,21H,2-4,6-10,12,14-15H2,1H3/b19-5-
InChIKeyFUEHIFONHFAEFP-IPKBDRFQSA-N
MW428.51 g/mol
LogP7.24
Rot. Bonds8

About 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane

5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane (PubChem CID 118316616) has the molecular formula C24H32F4O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane.

Molecular Properties

Compound Name5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane
PubChem CID118316616
Molecular FormulaC24H32F4O2
Molecular Weight428.51 g/mol
Exact Mass428.23
IUPAC Name5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane
SMILESCCOc1ccc(C2CCC(C3CCC(CC/C=C(\F)CF)CC3)CO2)c(F)c1F
InChIInChI=1S/C24H32F4O2/c1-2-29-22-13-11-20(23(27)24(22)28)21-12-10-18(15-30-21)17-8-6-16(7-9-17)4-3-5-19(26)14-25/h5,11,13,16-18,21H,2-4,6-10,12,14-15H2,1H3/b19-5-
InChIKeyFUEHIFONHFAEFP-IPKBDRFQSA-N
XLogP7.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane with MolForge

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Related Compounds

2-(4-ethoxy-2,3-difluorophenyl)-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
CID 67968439
2-(4-ethoxy-2,3-difluorophenyl)-5-[(E)-pent-3-enyl]oxane
CID 176777875
2-[2,3-difluoro-4-[[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]methoxy]phenyl]oxirane
CID 89276327
5-(4-but-3-enylcyclohexyl)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]oxane
CID 58021175
5-but-3-enyl-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67733051
5-[(6S)-6-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-3-yl]-2-prop-1-enyl-1,3-dioxane
CID 90929857
5-(4-but-3-enylcyclohexyl)-2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]oxane
CID 58021190
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
2-[5-(4-ethoxy-2,3-difluorophenyl)oxan-2-yl]-5-(4-pentylcyclohexyl)oxane
CID 67968441
(5S)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-5-(4-pentylcyclohexyl)oxane
CID 67957680
5-but-3-enyl-2-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67733057
5-[6-(difluoromethylidene)-11-[6-(2,3-difluoro-4-methylphenyl)oxan-3-yl]undecyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane
CID 134273710

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane?
The IUPAC name of 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane (CID 118316616) is 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane.
What is the SMILES notation for 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane?
The canonical SMILES for 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane is CCOc1ccc(C2CCC(C3CCC(CC/C=C(\F)CF)CC3)CO2)c(F)c1F.
What is the InChIKey of 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane?
The InChIKey is FUEHIFONHFAEFP-IPKBDRFQSA-N. The full InChI is InChI=1S/C24H32F4O2/c1-2-29-22-13-11-20(23(27)24(22)28)21-12-10-18(15-30-21)17-8-6-16(7-9-17)4-3-5-19(26)14-25/h5,11,13,16-18,21H,2-4,6-10,12,14-15H2,1H3/b19-5-.
What are the key properties of 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane?
5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane has a molecular weight of 428.51 g/mol, XLogP of 7.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(Z)-4,5-difluoropent-3-enyl]cyclohexyl]-2-(4-ethoxy-2,3-difluorophenyl)oxane is sourced from PubChem (CID 118316616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).