4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane

C22H37FSi — CID 54462042

IUPAC4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H37FSi/c1-2-3-4-5-8-17-24-18-15-21(16-19-24)10-7-6-9-20-11-13-22(23)14-12-20/h11-14,21,24H,2-10,15-19H2,1H3
InChIKeyXCGXPGMLMHJOEY-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.15
Rot. Bonds11

About 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane

4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane (PubChem CID 54462042) has the molecular formula C22H37FSi and a molecular weight of 348.62 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
PubChem CID54462042
Molecular FormulaC22H37FSi
Molecular Weight348.62 g/mol
Exact Mass348.26
IUPAC Name4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H37FSi/c1-2-3-4-5-8-17-24-18-15-21(16-19-24)10-7-6-9-20-11-13-22(23)14-12-20/h11-14,21,24H,2-10,15-19H2,1H3
InChIKeyXCGXPGMLMHJOEY-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.15
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'}

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Related Compounds

4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-[4-[4-[4-(2,2-difluoroethenyl)phenyl]butyl]cyclohexyl]-1-pentylsilinane
CID 54194428
CID 22913907
CID 22913907
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
1-butyl-4-[4-[4-[4-(difluoromethoxy)phenyl]butyl]cyclohexyl]silinane
CID 54323999
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
1-fluoro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 67786063
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane?
The IUPAC name of 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane (CID 54462042) is 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane.
What is the SMILES notation for 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane?
The canonical SMILES for 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane is CCCCCCC[SiH]1CCC(CCCCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane?
The InChIKey is XCGXPGMLMHJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37FSi/c1-2-3-4-5-8-17-24-18-15-21(16-19-24)10-7-6-9-20-11-13-22(23)14-12-20/h11-14,21,24H,2-10,15-19H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane?
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane has a molecular weight of 348.62 g/mol, XLogP of 7.15, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane is sourced from PubChem (CID 54462042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).