4-(4-fluorophenyl)-1-heptylsilinane

C18H29FSi — CID 54037116

IUPAC4-(4-fluorophenyl)-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H29FSi/c1-2-3-4-5-6-13-20-14-11-17(12-15-20)16-7-9-18(19)10-8-16/h7-10,17,20H,2-6,11-15H2,1H3
InChIKeyLJTBXZTZNJBQOH-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.90
Rot. Bonds7

About 4-(4-fluorophenyl)-1-heptylsilinane

4-(4-fluorophenyl)-1-heptylsilinane (PubChem CID 54037116) has the molecular formula C18H29FSi and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-heptylsilinane.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-heptylsilinane
PubChem CID54037116
Molecular FormulaC18H29FSi
Molecular Weight292.51 g/mol
Exact Mass292.20
IUPAC Name4-(4-fluorophenyl)-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H29FSi/c1-2-3-4-5-6-13-20-14-11-17(12-15-20)16-7-9-18(19)10-8-16/h7-10,17,20H,2-6,11-15H2,1H3
InChIKeyLJTBXZTZNJBQOH-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.90
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-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
CID 54164040
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
(4-fluorophenyl) 2,6-difluoro-4-(1-pentylsilinan-4-yl)benzoate
CID 54356523
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709
4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane
CID 54334262
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-heptylsilinane?
The IUPAC name of 4-(4-fluorophenyl)-1-heptylsilinane (CID 54037116) is 4-(4-fluorophenyl)-1-heptylsilinane.
What is the SMILES notation for 4-(4-fluorophenyl)-1-heptylsilinane?
The canonical SMILES for 4-(4-fluorophenyl)-1-heptylsilinane is CCCCCCC[SiH]1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-heptylsilinane?
The InChIKey is LJTBXZTZNJBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FSi/c1-2-3-4-5-6-13-20-14-11-17(12-15-20)16-7-9-18(19)10-8-16/h7-10,17,20H,2-6,11-15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-heptylsilinane?
4-(4-fluorophenyl)-1-heptylsilinane has a molecular weight of 292.51 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-heptylsilinane is sourced from PubChem (CID 54037116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).