(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile

C24H29F4NO — CID 67590520

IUPAC(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile
SMILESN#C/C(F)=C/C1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H29F4NO/c25-22(16-29)15-19-5-3-17(4-6-19)1-2-18-7-9-20(10-8-18)21-11-13-23(14-12-21)30-24(26,27)28/h11-15,17-20H,1-10H2/b22-15-
InChIKeyUPRFDGNWGRAKBS-JCMHNJIXSA-N
MW423.49 g/mol
LogP7.82
Rot. Bonds6

About (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile

(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile (PubChem CID 67590520) has the molecular formula C24H29F4NO and a molecular weight of 423.49 g/mol. Its IUPAC name is (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile
PubChem CID67590520
Molecular FormulaC24H29F4NO
Molecular Weight423.49 g/mol
Exact Mass423.22
IUPAC Name(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile
SMILESN#C/C(F)=C/C1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H29F4NO/c25-22(16-29)15-19-5-3-17(4-6-19)1-2-18-7-9-20(10-8-18)21-11-13-23(14-12-21)30-24(26,27)28/h11-15,17-20H,1-10H2/b22-15-
InChIKeyUPRFDGNWGRAKBS-JCMHNJIXSA-N
XLogP7.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-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

(Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 67589332
(Z)-3-[4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 67589703
2-fluoro-5-[4-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54267373
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
3-[4-[2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 54411037
7-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethenyl]cyclohexyl]hepta-2,4-dienenitrile
CID 54271030
2-fluoro-5-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexyl]penta-2,4-dienenitrile
CID 54229674
1-[4-[2-[4-[(E)-6-fluorohex-1-enyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695491
4-[4-[4-(2-cyano-2-fluoroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54128510
(E)-4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-enoic acid
CID 67844168
(2E,4E)-5-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]penta-2,4-dienenitrile
CID 19613071
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile (CID 67590520) is (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile is N#C/C(F)=C/C1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile?
The InChIKey is UPRFDGNWGRAKBS-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H29F4NO/c25-22(16-29)15-19-5-3-17(4-6-19)1-2-18-7-9-20(10-8-18)21-11-13-23(14-12-21)30-24(26,27)28/h11-15,17-20H,1-10H2/b22-15-.
What are the key properties of (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile?
(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile has a molecular weight of 423.49 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile is sourced from PubChem (CID 67590520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).