1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene

C28H34F2 — CID 67699851

IUPAC1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
SMILESCCC/C=C/c1ccc(/C(F)=C(/F)c2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C28H34F2/c1-3-5-6-8-22-11-15-25(16-12-22)27(29)28(30)26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h6,8,11-12,15-21,23H,3-5,7,9-10,13-14H2,1-2H3/b8-6+,28-27-
InChIKeyXQAAXTKZXVSWFO-DRFHTFNYSA-N
MW408.58 g/mol
LogP9.34
Rot. Bonds8

About 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene

1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 67699851) has the molecular formula C28H34F2 and a molecular weight of 408.58 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
PubChem CID67699851
Molecular FormulaC28H34F2
Molecular Weight408.58 g/mol
Exact Mass408.26
IUPAC Name1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
SMILESCCC/C=C/c1ccc(/C(F)=C(/F)c2ccc(C3CCC(CCC)CC3)cc2)cc1
InChIInChI=1S/C28H34F2/c1-3-5-6-8-22-11-15-25(16-12-22)27(29)28(30)26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h6,8,11-12,15-21,23H,3-5,7,9-10,13-14H2,1-2H3/b8-6+,28-27-
InChIKeyXQAAXTKZXVSWFO-DRFHTFNYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
CID 25197320
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123420497
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
CID 22123950
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
CID 54292273
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene (CID 67699851) is 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene is CCC/C=C/c1ccc(/C(F)=C(/F)c2ccc(C3CCC(CCC)CC3)cc2)cc1.
What is the InChIKey of 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is XQAAXTKZXVSWFO-DRFHTFNYSA-N. The full InChI is InChI=1S/C28H34F2/c1-3-5-6-8-22-11-15-25(16-12-22)27(29)28(30)26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h6,8,11-12,15-21,23H,3-5,7,9-10,13-14H2,1-2H3/b8-6+,28-27-.
What are the key properties of 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene?
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 408.58 g/mol, XLogP of 9.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 67699851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).