2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile

C27H34FNSi — CID 54734121

IUPAC2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
SMILESCCCC1CCC([SiH]2CCC(c3ccc(-c4ccc(C#N)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C27H34FNSi/c1-2-3-20-4-12-26(13-5-20)30-16-14-23(15-17-30)21-6-8-22(9-7-21)24-10-11-25(19-29)27(28)18-24/h6-11,18,20,23,26,30H,2-5,12-17H2,1H3
InChIKeyALOFJUVJDINWSV-UHFFFAOYSA-N
MW419.66 g/mol
LogP7.83
Rot. Bonds5

About 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile

2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile (PubChem CID 54734121) has the molecular formula C27H34FNSi and a molecular weight of 419.66 g/mol. Its IUPAC name is 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
PubChem CID54734121
Molecular FormulaC27H34FNSi
Molecular Weight419.66 g/mol
Exact Mass419.24
IUPAC Name2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile
SMILESCCCC1CCC([SiH]2CCC(c3ccc(-c4ccc(C#N)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C27H34FNSi/c1-2-3-20-4-12-26(13-5-20)30-16-14-23(15-17-30)21-6-8-22(9-7-21)24-10-11-25(19-29)27(28)18-24/h6-11,18,20,23,26,30H,2-5,12-17H2,1H3
InChIKeyALOFJUVJDINWSV-UHFFFAOYSA-N
XLogP7.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.66
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile 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-chloro-3-fluorophenyl)phenyl]-1-(4-propylcyclohexyl)silinane
CID 54729316
2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
CID 20603170
4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
CID 54734843
4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
CID 22590745
2,6-difluoro-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzonitrile
CID 102416028
2-fluoro-4-[4-[4-(5-fluoropent-4-enyl)cyclohexyl]phenyl]benzonitrile
CID 54368056
[4-(4-cyano-3-fluorophenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate
CID 102413899
4-[[2,6-difluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-2,6-difluorobenzonitrile
CID 20654222
4-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-2-fluorobenzonitrile
CID 70382865
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile (CID 54734121) is 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile is CCCC1CCC([SiH]2CCC(c3ccc(-c4ccc(C#N)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile?
The InChIKey is ALOFJUVJDINWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FNSi/c1-2-3-20-4-12-26(13-5-20)30-16-14-23(15-17-30)21-6-8-22(9-7-21)24-10-11-25(19-29)27(28)18-24/h6-11,18,20,23,26,30H,2-5,12-17H2,1H3.
What are the key properties of 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile?
2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile has a molecular weight of 419.66 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[1-(4-propylcyclohexyl)silinan-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 54734121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).