5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene

C32H35F5 — CID 88993373

IUPAC5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene
SMILESC=CC1CCC(c2cc(F)c(C3=CCC(C4CCC(c5cc(F)c(F)c(F)c5)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C32H35F5/c1-2-19-3-5-22(6-4-19)25-15-27(33)31(28(34)16-25)24-13-11-21(12-14-24)20-7-9-23(10-8-20)26-17-29(35)32(37)30(36)18-26/h2,13,15-23H,1,3-12,14H2
InChIKeyXCJXIMUZIWAFBV-UHFFFAOYSA-N
MW514.62 g/mol
LogP10.00
Rot. Bonds5

About 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene

5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene (PubChem CID 88993373) has the molecular formula C32H35F5 and a molecular weight of 514.62 g/mol. Its IUPAC name is 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene
PubChem CID88993373
Molecular FormulaC32H35F5
Molecular Weight514.62 g/mol
Exact Mass514.27
IUPAC Name5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene
SMILESC=CC1CCC(c2cc(F)c(C3=CCC(C4CCC(c5cc(F)c(F)c(F)c5)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C32H35F5/c1-2-19-3-5-22(6-4-19)25-15-27(33)31(28(34)16-25)24-13-11-21(12-14-24)20-7-9-23(10-8-20)26-17-29(35)32(37)30(36)18-26/h2,13,15-23H,1,3-12,14H2
InChIKeyXCJXIMUZIWAFBV-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexen-1-yl]-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
CID 88993377
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 88993495
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexen-1-yl]benzene
CID 88993385
5-ethenyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-dioxane
CID 149357112
2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
CID 15376160
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]benzene
CID 88993420
5-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(1,2,2-trifluoroethenoxy)benzene
CID 162587787
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868571
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 67739029
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene?
The IUPAC name of 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene (CID 88993373) is 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene.
What is the SMILES notation for 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene?
The canonical SMILES for 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene is C=CC1CCC(c2cc(F)c(C3=CCC(C4CCC(c5cc(F)c(F)c(F)c5)CC4)CC3)c(F)c2)CC1.
What is the InChIKey of 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene?
The InChIKey is XCJXIMUZIWAFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F5/c1-2-19-3-5-22(6-4-19)25-15-27(33)31(28(34)16-25)24-13-11-21(12-14-24)20-7-9-23(10-8-20)26-17-29(35)32(37)30(36)18-26/h2,13,15-23H,1,3-12,14H2.
What are the key properties of 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene?
5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene has a molecular weight of 514.62 g/mol, XLogP of 10.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylcyclohexyl)-1,3-difluoro-2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexen-1-yl]benzene is sourced from PubChem (CID 88993373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).