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

C19H22F2Si — CID 54735927

IUPAC4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane
SMILESCC[SiH]1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H22F2Si/c1-2-22-11-9-16(10-12-22)14-3-5-15(6-4-14)17-7-8-18(20)19(21)13-17/h3-8,13,16,22H,2,9-12H2,1H3
InChIKeyWOOYSRVDEJVRJE-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.76
Rot. Bonds3

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

4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane (PubChem CID 54735927) has the molecular formula C19H22F2Si and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane
PubChem CID54735927
Molecular FormulaC19H22F2Si
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane
SMILESCC[SiH]1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C19H22F2Si/c1-2-22-11-9-16(10-12-22)14-3-5-15(6-4-14)17-7-8-18(20)19(21)13-17/h3-8,13,16,22H,2,9-12H2,1H3
InChIKeyWOOYSRVDEJVRJE-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.76
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-propylsilinane
CID 22875775
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
CID 19601961
CID 19601961
CID 22924523
CID 22924523
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
CID 134241732
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866
1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene
CID 145223046
4-[4-(4-chloro-3-fluorophenyl)phenyl]-1-(4-propylcyclohexyl)silinane
CID 54729316

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane?
The IUPAC name of 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane (CID 54735927) is 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane is CC[SiH]1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane?
The InChIKey is WOOYSRVDEJVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2Si/c1-2-22-11-9-16(10-12-22)14-3-5-15(6-4-14)17-7-8-18(20)19(21)13-17/h3-8,13,16,22H,2,9-12H2,1H3.
What are the key properties of 4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane?
4-[4-(3,4-difluorophenyl)phenyl]-1-ethylsilinane has a molecular weight of 316.47 g/mol, XLogP of 5.76, 3 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-ethylsilinane is sourced from PubChem (CID 54735927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).