4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane

C20H24F2Si — CID 22875775

IUPAC4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H24F2Si/c1-2-11-23-12-9-17(10-13-23)15-3-5-16(6-4-15)18-7-8-19(21)20(22)14-18/h3-8,14,17,23H,2,9-13H2,1H3
InChIKeyVKVZSAJFIGREHY-UHFFFAOYSA-N
MW330.49 g/mol
LogP6.15
Rot. Bonds4

About 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane

4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane (PubChem CID 22875775) has the molecular formula C20H24F2Si and a molecular weight of 330.49 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
PubChem CID22875775
Molecular FormulaC20H24F2Si
Molecular Weight330.49 g/mol
Exact Mass330.16
IUPAC Name4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H24F2Si/c1-2-11-23-12-9-17(10-13-23)15-3-5-16(6-4-15)18-7-8-19(21)20(22)14-18/h3-8,14,17,23H,2,9-13H2,1H3
InChIKeyVKVZSAJFIGREHY-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane
CID 54735927
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
CID 22924588
CID 22924588
4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
CID 54734843
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
4-[4-[4-[(Z)-1,2-dichloroethenyl]phenyl]phenyl]-1-propylsilinane
CID 173320857
CID 22924523
CID 22924523
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-1-propylsilinane
CID 54733022
CID 19601961
CID 19601961
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane?
The IUPAC name of 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane (CID 22875775) is 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane is CCC[SiH]1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane?
The InChIKey is VKVZSAJFIGREHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2Si/c1-2-11-23-12-9-17(10-13-23)15-3-5-16(6-4-15)18-7-8-19(21)20(22)14-18/h3-8,14,17,23H,2,9-13H2,1H3.
What are the key properties of 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane?
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane has a molecular weight of 330.49 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane is sourced from PubChem (CID 22875775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).