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

C25H35F3 — CID 139629431

IUPAC1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCCC1CCC(CC/C=C/C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H35F3/c1-2-19-7-9-20(10-8-19)5-3-4-6-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(26,27)28/h4,6,15-22H,2-3,5,7-14H2,1H3/b6-4+
InChIKeyLDHONIMLHMELOP-GQCTYLIASA-N
MW392.55 g/mol
LogP8.53
Rot. Bonds6

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

1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 139629431) has the molecular formula C25H35F3 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID139629431
Molecular FormulaC25H35F3
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCCC1CCC(CC/C=C/C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C25H35F3/c1-2-19-7-9-20(10-8-19)5-3-4-6-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(26,27)28/h4,6,15-22H,2-3,5,7-14H2,1H3/b6-4+
InChIKeyLDHONIMLHMELOP-GQCTYLIASA-N
XLogP8.53
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 ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 139629305
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649
1-chloro-4-[4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]cyclohexyl]benzene
CID 139629318
1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene
CID 54303334
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437
4-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139629362
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 139629397
(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
CID 19613878
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene (CID 139629431) is 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene is CCC1CCC(CC/C=C/C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is LDHONIMLHMELOP-GQCTYLIASA-N. The full InChI is InChI=1S/C25H35F3/c1-2-19-7-9-20(10-8-19)5-3-4-6-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(26,27)28/h4,6,15-22H,2-3,5,7-14H2,1H3/b6-4+.
What are the key properties of 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene?
1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 392.55 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 139629431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).