1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene

C25H34F2 — CID 130352205

IUPAC1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene
SMILESC=CC1CCC(C2CCC(/C=C/c3ccc(CCC)cc3)CC2)C(F)(F)C1
InChIInChI=1S/C25H34F2/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-15-23(16-13-22)24-17-14-19(4-2)18-25(24,26)27/h4,6-11,19,22-24H,2-3,5,12-18H2,1H3/b11-10+
InChIKeyNYCMKYGVKYWCRR-ZHACJKMWSA-N
MW372.54 g/mol
LogP7.70
Rot. Bonds6

About 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene

1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene (PubChem CID 130352205) has the molecular formula C25H34F2 and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene
PubChem CID130352205
Molecular FormulaC25H34F2
Molecular Weight372.54 g/mol
Exact Mass372.26
IUPAC Name1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene
SMILESC=CC1CCC(C2CCC(/C=C/c3ccc(CCC)cc3)CC2)C(F)(F)C1
InChIInChI=1S/C25H34F2/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-15-23(16-13-22)24-17-14-19(4-2)18-25(24,26)27/h4,6-11,19,22-24H,2-3,5,12-18H2,1H3/b11-10+
InChIKeyNYCMKYGVKYWCRR-ZHACJKMWSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.54
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4-[(E)-4-[4-(4-ethyl-2,2-difluorocyclohexyl)cyclohexyl]but-3-enyl]benzene
CID 130352227
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-[4-(4-ethenyl-3,3-difluorocyclohexyl)cyclohexyl]-4-propylbenzene
CID 130352058
1-[[4-[2,2-difluoro-4-(trifluoromethyl)cyclohexyl]cyclohexyl]oxy-difluoromethyl]-4-propylbenzene
CID 130355851
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
(4-propylphenyl) 4-[(E)-2-[4-(4-propoxycyclohexyl)cyclohexyl]ethenyl]benzoate
CID 20717280
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene
CID 134408908
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
CID 173068307
1-but-3-enyl-4-[2-[4-(3,3-difluoro-4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 130352097
1-[6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]-4-propylbenzene
CID 54369370

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene?
The IUPAC name of 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene (CID 130352205) is 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene.
What is the SMILES notation for 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene?
The canonical SMILES for 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene is C=CC1CCC(C2CCC(/C=C/c3ccc(CCC)cc3)CC2)C(F)(F)C1.
What is the InChIKey of 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene?
The InChIKey is NYCMKYGVKYWCRR-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H34F2/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-15-23(16-13-22)24-17-14-19(4-2)18-25(24,26)27/h4,6-11,19,22-24H,2-3,5,12-18H2,1H3/b11-10+.
What are the key properties of 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene?
1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene has a molecular weight of 372.54 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene is sourced from PubChem (CID 130352205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).