4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane

C31H30F2Si — CID 22404086

IUPAC4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane
SMILESFc1ccc(-c2ccc(CCC3CC[Si](c4ccccc4)(c4ccccc4)CC3)cc2)cc1F
InChIInChI=1S/C31H30F2Si/c32-30-18-17-27(23-31(30)33)26-15-13-24(14-16-26)11-12-25-19-21-34(22-20-25,28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-10,13-18,23,25H,11-12,19-22H2
InChIKeyBFEGLBSKAQUXNA-UHFFFAOYSA-N
MW468.66 g/mol
LogP7.24
Rot. Bonds6

About 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane

4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane (PubChem CID 22404086) has the molecular formula C31H30F2Si and a molecular weight of 468.66 g/mol. Its IUPAC name is 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane.

Molecular Properties

Compound Name4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane
PubChem CID22404086
Molecular FormulaC31H30F2Si
Molecular Weight468.66 g/mol
Exact Mass468.21
IUPAC Name4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane
SMILESFc1ccc(-c2ccc(CCC3CC[Si](c4ccccc4)(c4ccccc4)CC3)cc2)cc1F
InChIInChI=1S/C31H30F2Si/c32-30-18-17-27(23-31(30)33)26-15-13-24(14-16-26)11-12-25-19-21-34(22-20-25,28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-10,13-18,23,25H,11-12,19-22H2
InChIKeyBFEGLBSKAQUXNA-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 57.24
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-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
CID 22404137
CID 22404137
1-[1-chloro-4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-phenylsilinane
CID 54395493
CID 19419990
CID 19419990
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453
CID 23367412
CID 23367412
4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
CID 163699414
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 19695475
CID 20632338
CID 20632338

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane?
The IUPAC name of 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane (CID 22404086) is 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane.
What is the SMILES notation for 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane?
The canonical SMILES for 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane is Fc1ccc(-c2ccc(CCC3CC[Si](c4ccccc4)(c4ccccc4)CC3)cc2)cc1F.
What is the InChIKey of 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane?
The InChIKey is BFEGLBSKAQUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2Si/c32-30-18-17-27(23-31(30)33)26-15-13-24(14-16-26)11-12-25-19-21-34(22-20-25,28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-10,13-18,23,25H,11-12,19-22H2.
What are the key properties of 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane?
4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane has a molecular weight of 468.66 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane is sourced from PubChem (CID 22404086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).