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

C22H25F4NO — CID 67589332

IUPAC(Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile
SMILESN#C/C(F)=C/C1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H25F4NO/c23-20(14-27)13-15-1-3-16(4-2-15)17-5-7-18(8-6-17)19-9-11-21(12-10-19)28-22(24,25)26/h9-13,15-18H,1-8H2/b20-13-
InChIKeyBUJAKNOXNZSNMS-MOSHPQCFSA-N
MW395.44 g/mol
LogP7.04
Rot. Bonds4

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

(Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile (PubChem CID 67589332) has the molecular formula C22H25F4NO and a molecular weight of 395.44 g/mol. Its IUPAC name is (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile
PubChem CID67589332
Molecular FormulaC22H25F4NO
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name(Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile
SMILESN#C/C(F)=C/C1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H25F4NO/c23-20(14-27)13-15-1-3-16(4-2-15)17-5-7-18(8-6-17)19-9-11-21(12-10-19)28-22(24,25)26/h9-13,15-18H,1-8H2/b20-13-
InChIKeyBUJAKNOXNZSNMS-MOSHPQCFSA-N
XLogP7.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 57.04
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-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]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-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile
CID 67590520
4-[4-[4-(2-cyano-2-fluoroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54128510
3-[4-[2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 54411037
(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
4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
CID 67758972
2-fluoro-5-[4-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54267373
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
5-[4-[1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile
CID 173304482
(Z)-3-[4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 67589703
1-[4-(2-chloroethenyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 54491632
5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile
CID 54232791

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile (CID 67589332) is (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile is N#C/C(F)=C/C1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile?
The InChIKey is BUJAKNOXNZSNMS-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H25F4NO/c23-20(14-27)13-15-1-3-16(4-2-15)17-5-7-18(8-6-17)19-9-11-21(12-10-19)28-22(24,25)26/h9-13,15-18H,1-8H2/b20-13-.
What are the key properties of (Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile?
(Z)-2-fluoro-3-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile has a molecular weight of 395.44 g/mol, XLogP of 7.04, 4 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-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]prop-2-enenitrile is sourced from PubChem (CID 67589332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).