1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene

C26H32F2 — CID 67590195

IUPAC1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc(CCc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C26H32F2/c1-3-4-20-11-15-23(16-12-20)25(27)26(28)24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21/h5-8,13-14,17-18,20,23H,3-4,9-12,15-16H2,1-2H3/b26-25+
InChIKeyIOKPDSDJGNACMF-OCEACIFDSA-N
MW382.54 g/mol
LogP7.99
Rot. Bonds7

About 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene

1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene (PubChem CID 67590195) has the molecular formula C26H32F2 and a molecular weight of 382.54 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene
PubChem CID67590195
Molecular FormulaC26H32F2
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc(CCc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C26H32F2/c1-3-4-20-11-15-23(16-12-20)25(27)26(28)24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21/h5-8,13-14,17-18,20,23H,3-4,9-12,15-16H2,1-2H3/b26-25+
InChIKeyIOKPDSDJGNACMF-OCEACIFDSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethynyl]benzene
CID 67589129
4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde
CID 139686999
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698946
5-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-2,2-difluoro-1,3-benzodioxole
CID 139968718
1-[(Z)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22941704
1-[(E)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991563
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132
1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
CID 59695704
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
[1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-trimethylsilane
CID 54125156

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
The IUPAC name of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene (CID 67590195) is 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene is CCCC1CCC(/C(F)=C(\F)c2ccc(CCc3ccc(C)cc3)cc2)CC1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
The InChIKey is IOKPDSDJGNACMF-OCEACIFDSA-N. The full InChI is InChI=1S/C26H32F2/c1-3-4-20-11-15-23(16-12-20)25(27)26(28)24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21/h5-8,13-14,17-18,20,23H,3-4,9-12,15-16H2,1-2H3/b26-25+.
What are the key properties of 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene has a molecular weight of 382.54 g/mol, XLogP of 7.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 67590195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).