(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile

C25H33F2N — CID 67590863

IUPAC(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile
SMILESN#C/C(F)=C/CCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H33F2N/c26-24-16-14-23(15-17-24)22-12-10-21(11-13-22)9-8-20-6-4-19(5-7-20)2-1-3-25(27)18-28/h3,14-17,19-22H,1-2,4-13H2/b25-3-
InChIKeyFSXPJPNNEPLVAL-GYEZCXOLSA-N
MW385.54 g/mol
LogP7.84
Rot. Bonds7

About (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile

(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile (PubChem CID 67590863) has the molecular formula C25H33F2N and a molecular weight of 385.54 g/mol. Its IUPAC name is (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile
PubChem CID67590863
Molecular FormulaC25H33F2N
Molecular Weight385.54 g/mol
Exact Mass385.26
IUPAC Name(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile
SMILESN#C/C(F)=C/CCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H33F2N/c26-24-16-14-23(15-17-24)22-12-10-21(11-13-22)9-8-20-6-4-19(5-7-20)2-1-3-25(27)18-28/h3,14-17,19-22H,1-2,4-13H2/b25-3-
InChIKeyFSXPJPNNEPLVAL-GYEZCXOLSA-N
XLogP7.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
4-[4-[[4-(4-cyano-4-fluorobut-3-enyl)cyclohexyl]oxymethyl]cyclohexyl]benzonitrile
CID 54125534
5-[4-[(E)-2-[4-(4-butylphenyl)cyclohexyl]ethenyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 67589751
(Z)-5-[4-[[4-(3,4-difluorophenyl)cyclohexyl]methoxy]cyclohexyl]-2-fluoropent-2-enenitrile
CID 67590331
2-fluoro-5-[4-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54267373
(2E,4E)-7-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]hepta-2,4-dienenitrile
CID 19613894
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
(Z)-5-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 67589613
(Z)-3-[4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 67589703
2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile
CID 54300257
(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile
CID 67590520

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile?
The IUPAC name of (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile (CID 67590863) is (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile.
What is the SMILES notation for (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile?
The canonical SMILES for (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile is N#C/C(F)=C/CCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile?
The InChIKey is FSXPJPNNEPLVAL-GYEZCXOLSA-N. The full InChI is InChI=1S/C25H33F2N/c26-24-16-14-23(15-17-24)22-12-10-21(11-13-22)9-8-20-6-4-19(5-7-20)2-1-3-25(27)18-28/h3,14-17,19-22H,1-2,4-13H2/b25-3-.
What are the key properties of (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile?
(Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile has a molecular weight of 385.54 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-5-[4-[2-[4-(4-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]pent-2-enenitrile is sourced from PubChem (CID 67590863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).