(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile

C24H30F3N — CID 19613878

IUPAC(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
SMILESN#C/C=C/CCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H30F3N/c25-24(26,27)23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-1-3-17-28/h1,3,13-16,18-21H,2,4-12H2/b3-1+
InChIKeyQNFSGSKKGCQEHX-HNQUOIGGSA-N
MW389.51 g/mol
LogP7.65
Rot. Bonds5

About (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile

(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile (PubChem CID 19613878) has the molecular formula C24H30F3N and a molecular weight of 389.51 g/mol. Its IUPAC name is (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile.

Molecular Properties

Compound Name(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
PubChem CID19613878
Molecular FormulaC24H30F3N
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
SMILESN#C/C=C/CCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H30F3N/c25-24(26,27)23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-1-3-17-28/h1,3,13-16,18-21H,2,4-12H2/b3-1+
InChIKeyQNFSGSKKGCQEHX-HNQUOIGGSA-N
XLogP7.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile 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

4-[4-[4-(4-cyanobut-3-enyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54106459
(2E,4E)-7-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613894
5-[1-methoxy-4-[4-(trifluoromethyl)phenyl]cyclohexyl]pent-2-enenitrile
CID 54073916
1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
CID 139629431
(E)-5-cyclopropylpent-2-enenitrile
CID 131244540
5-[4-(4-heptylphenyl)cyclohexyl]pent-2-enenitrile
CID 54439791
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene
CID 54303334
2-but-3-enyl-7-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22044728
(E)-3-[4-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]cyclohexyl]prop-2-enenitrile
CID 19613483
(E)-5-[4-(4-ethylcyclohexyl)cyclohexyl]pent-2-enenitrile
CID 19612791
(E)-5-[4-[1-[4-(4-propylphenyl)cyclohexyl]ethenyl]cyclohexyl]pent-2-enenitrile
CID 19612897

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile?
The IUPAC name of (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile (CID 19613878) is (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile.
What is the SMILES notation for (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile?
The canonical SMILES for (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile is N#C/C=C/CCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile?
The InChIKey is QNFSGSKKGCQEHX-HNQUOIGGSA-N. The full InChI is InChI=1S/C24H30F3N/c25-24(26,27)23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-1-3-17-28/h1,3,13-16,18-21H,2,4-12H2/b3-1+.
What are the key properties of (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile?
(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile has a molecular weight of 389.51 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile is sourced from PubChem (CID 19613878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).