4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane

C28H44F2Si — CID 54194428

IUPAC4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C28H44F2Si/c1-2-3-6-19-31-20-17-27(18-21-31)26-15-13-24(14-16-26)8-5-4-7-23-9-11-25(12-10-23)22-28(29)30/h9-12,22,24,26-27,31H,2-8,13-21H2,1H3
InChIKeyPKUKUKYTFIWKJZ-UHFFFAOYSA-N
MW446.74 g/mol
LogP9.27
Rot. Bonds11

About 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane

4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane (PubChem CID 54194428) has the molecular formula C28H44F2Si and a molecular weight of 446.74 g/mol. Its IUPAC name is 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane
PubChem CID54194428
Molecular FormulaC28H44F2Si
Molecular Weight446.74 g/mol
Exact Mass446.32
IUPAC Name4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(C=C(F)F)cc3)CC2)CC1
InChIInChI=1S/C28H44F2Si/c1-2-3-6-19-31-20-17-27(18-21-31)26-15-13-24(14-16-26)8-5-4-7-23-9-11-25(12-10-23)22-28(29)30/h9-12,22,24,26-27,31H,2-8,13-21H2,1H3
InChIKeyPKUKUKYTFIWKJZ-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.74
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane 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-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane
CID 54323999
4-[4-[4-[4-(2-fluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54304468
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
4-[4-[4-[4-(2,2-difluoroethoxy)phenyl]butyl]cyclohexyl]-1-propylsilinane
CID 54226903
1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
CID 14573367
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene
CID 173321829
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 19842832

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane (CID 54194428) is 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane is CCCCC[SiH]1CCC(C2CCC(CCCCc3ccc(C=C(F)F)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane?
The InChIKey is PKUKUKYTFIWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44F2Si/c1-2-3-6-19-31-20-17-27(18-21-31)26-15-13-24(14-16-26)8-5-4-7-23-9-11-25(12-10-23)22-28(29)30/h9-12,22,24,26-27,31H,2-8,13-21H2,1H3.
What are the key properties of 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane?
4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane has a molecular weight of 446.74 g/mol, XLogP of 9.27, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane is sourced from PubChem (CID 54194428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).