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

C24H40FN — CID 54300257

IUPAC2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile
SMILESCCCCCC1CCC(CCC2CCC(CCC=C(F)C#N)CC2)CC1
InChIInChI=1S/C24H40FN/c1-2-3-4-6-20-9-13-22(14-10-20)17-18-23-15-11-21(12-16-23)7-5-8-24(25)19-26/h8,20-23H,2-7,9-18H2,1H3
InChIKeySDROHKMWMGNHLT-UHFFFAOYSA-N
MW361.59 g/mol
LogP8.12
Rot. Bonds10

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

2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile (PubChem CID 54300257) has the molecular formula C24H40FN and a molecular weight of 361.59 g/mol. Its IUPAC name is 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile.

Molecular Properties

Compound Name2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile
PubChem CID54300257
Molecular FormulaC24H40FN
Molecular Weight361.59 g/mol
Exact Mass361.31
IUPAC Name2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile
SMILESCCCCCC1CCC(CCC2CCC(CCC=C(F)C#N)CC2)CC1
InChIInChI=1S/C24H40FN/c1-2-3-4-6-20-9-13-22(14-10-20)17-18-23-15-11-21(12-16-23)7-5-8-24(25)19-26/h8,20-23H,2-7,9-18H2,1H3
InChIKeySDROHKMWMGNHLT-UHFFFAOYSA-N
XLogP8.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.59
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]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

(E)-2-fluoro-3-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]prop-2-enenitrile
CID 19613313
5-[4-[2-(4-butylphenyl)ethyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 54245341
(4-butylcyclohexyl) 4-(4-cyano-4-fluorobut-3-enyl)cyclohexane-1-carboxylate
CID 54273208
(Z)-2-fluoro-5-[4-[4-[4-(4-propylphenyl)butyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
CID 67590708
[4-(4-cyano-4-fluorobut-3-enyl)cyclohexyl] 4-butylcyclohexane-1-carboxylate
CID 54265131
2-fluoro-5-[4-[4-[4-(4-propylphenyl)cyclohexyl]butyl]cyclohexyl]pent-2-enenitrile
CID 54539025
(E)-2-fluoro-3-[4-(4-heptylcyclohexyl)cyclohexyl]prop-2-enenitrile
CID 19613343
2-fluoro-7-[4-[1-(4-heptylcyclohexyl)ethenyl]cyclohexyl]hepta-2,4-dienenitrile
CID 173304489
1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
CID 19842816
(Z)-2-fluoronon-2-enenitrile
CID 11400896
5-[4-[(E)-2-[4-(4-butylphenyl)cyclohexyl]ethenyl]cyclohexyl]-2-fluoropent-2-enenitrile
CID 67589751
2-fluoro-3-[4-[1-(4-pentylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 67590103

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile?
The IUPAC name of 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile (CID 54300257) is 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile.
What is the SMILES notation for 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile?
The canonical SMILES for 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile is CCCCCC1CCC(CCC2CCC(CCC=C(F)C#N)CC2)CC1.
What is the InChIKey of 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile?
The InChIKey is SDROHKMWMGNHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40FN/c1-2-3-4-6-20-9-13-22(14-10-20)17-18-23-15-11-21(12-16-23)7-5-8-24(25)19-26/h8,20-23H,2-7,9-18H2,1H3.
What are the key properties of 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile?
2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile has a molecular weight of 361.59 g/mol, XLogP of 8.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]pent-2-enenitrile is sourced from PubChem (CID 54300257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).