1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene

C25H35F3 — CID 67680891

IUPAC1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene
SMILESCCC1CCC(C2CCC(C/C=C\Cc3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H35F3/c1-2-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-3-4-6-21-11-17-24(18-12-21)25(26,27)28/h3-4,11-12,17-20,22-23H,2,5-10,13-16H2,1H3/b4-3-
InChIKeyULVXDNFDJPEDRW-ARJAWSKDSA-N
MW392.55 g/mol
LogP8.22
Rot. Bonds6

About 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene

1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene (PubChem CID 67680891) has the molecular formula C25H35F3 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene
PubChem CID67680891
Molecular FormulaC25H35F3
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene
SMILESCCC1CCC(C2CCC(C/C=C\Cc3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H35F3/c1-2-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-3-4-6-21-11-17-24(18-12-21)25(26,27)28/h3-4,11-12,17-20,22-23H,2,5-10,13-16H2,1H3/b4-3-
InChIKeyULVXDNFDJPEDRW-ARJAWSKDSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 58.22
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-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene
CID 54259474
4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile
CID 67680855
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649
1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 57097862
1,2-difluoro-4-[(Z)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 67680833
1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
CID 173321823
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 54497381
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)benzene
CID 18650539
N-ethyl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79592722
3-[4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]propanal
CID 21459472
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 67779004

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene (CID 67680891) is 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene is CCC1CCC(C2CCC(C/C=C\Cc3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene?
The InChIKey is ULVXDNFDJPEDRW-ARJAWSKDSA-N. The full InChI is InChI=1S/C25H35F3/c1-2-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-3-4-6-21-11-17-24(18-12-21)25(26,27)28/h3-4,11-12,17-20,22-23H,2,5-10,13-16H2,1H3/b4-3-.
What are the key properties of 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene?
1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene has a molecular weight of 392.55 g/mol, XLogP of 8.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 67680891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).