(Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile

C24H30F3NO — CID 67590331

IUPAC(Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile
SMILESN#C/C(F)=C/CCC1CCC(OCC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H30F3NO/c25-21(15-28)3-1-2-17-6-11-22(12-7-17)29-16-18-4-8-19(9-5-18)20-10-13-23(26)24(27)14-20/h3,10,13-14,17-19,22H,1-2,4-9,11-12,16H2/b21-3-
InChIKeyQECZFDVUFXRCCU-OSSHXBFKSA-N
MW405.50 g/mol
LogP6.97
Rot. Bonds7

About (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile

(Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile (PubChem CID 67590331) has the molecular formula C24H30F3NO and a molecular weight of 405.50 g/mol. Its IUPAC name is (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile.

Molecular Properties

Compound Name(Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile
PubChem CID67590331
Molecular FormulaC24H30F3NO
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name(Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile
SMILESN#C/C(F)=C/CCC1CCC(OCC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H30F3NO/c25-21(15-28)3-1-2-17-6-11-22(12-7-17)29-16-18-4-8-19(9-5-18)20-10-13-23(26)24(27)14-20/h3,10,13-14,17-19,22H,1-2,4-9,11-12,16H2/b21-3-
InChIKeyQECZFDVUFXRCCU-OSSHXBFKSA-N
XLogP6.97
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-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-cyano-4-fluorobut-3-enyl)cyclohexyl]oxymethyl]cyclohexyl]benzonitrile
CID 54125534
2-fluoro-5-[4-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54267373
3-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile
CID 54137400
(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile
CID 67590863
(Z)-3-[4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 67589703
(Z)-5-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 67589613
5-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 54246631
[4-(3,4-difluorophenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate
CID 18394018
5-[4-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 67590277
2-fluoro-5-[4-[4-[4-(4-propylphenyl)cyclohexyl]butyl]cyclohexyl]pent-2-enenitrile
CID 54539025
(Z)-2-fluoro-5-[4-[[4-(trifluoromethoxy)phenyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 67589363
4-[4-[[4-(4-cyano-4-fluorobuta-1,3-dienyl)cyclohexyl]methoxy]cyclohexyl]benzonitrile
CID 173304480

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile?
The IUPAC name of (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile (CID 67590331) is (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile.
What is the SMILES notation for (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile?
The canonical SMILES for (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile is N#C/C(F)=C/CCC1CCC(OCC2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile?
The InChIKey is QECZFDVUFXRCCU-OSSHXBFKSA-N. The full InChI is InChI=1S/C24H30F3NO/c25-21(15-28)3-1-2-17-6-11-22(12-7-17)29-16-18-4-8-19(9-5-18)20-10-13-23(26)24(27)14-20/h3,10,13-14,17-19,22H,1-2,4-9,11-12,16H2/b21-3-.
What are the key properties of (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile?
(Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile has a molecular weight of 405.50 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile is sourced from PubChem (CID 67590331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).