4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane

C25H29F5OSi — CID 54730456

IUPAC4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane
SMILESCOCCCCC[SiH]1CCC(c2cc(F)c(-c3ccc(C(F)=CF)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H29F5OSi/c1-31-9-3-2-4-10-32-11-7-17(8-12-32)19-14-22(28)25(23(29)15-19)18-5-6-20(21(27)13-18)24(30)16-26/h5-6,13-17,32H,2-4,7-12H2,1H3
InChIKeyOFUVXKMVOMCSRY-UHFFFAOYSA-N
MW468.58 g/mol
LogP7.93
Rot. Bonds9

About 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane

4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane (PubChem CID 54730456) has the molecular formula C25H29F5OSi and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane.

Molecular Properties

Compound Name4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane
PubChem CID54730456
Molecular FormulaC25H29F5OSi
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane
SMILESCOCCCCC[SiH]1CCC(c2cc(F)c(-c3ccc(C(F)=CF)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H29F5OSi/c1-31-9-3-2-4-10-32-11-7-17(8-12-32)19-14-22(28)25(23(29)15-19)18-5-6-20(21(27)13-18)24(30)16-26/h5-6,13-17,32H,2-4,7-12H2,1H3
InChIKeyOFUVXKMVOMCSRY-UHFFFAOYSA-N
XLogP7.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 54148129
CID 54148129
4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
CID 54736791
4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]-1-(3-methoxypropyl)silinane
CID 67579549
4-[2-[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]ethyl]-1-propylsilinane
CID 54458471
(4-fluorophenyl) 2,6-difluoro-4-(1-pentylsilinan-4-yl)benzoate
CID 54356523
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene
CID 18720941
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775
2-(2,2-difluoroethenoxy)-5-[2,6-difluoro-4-(4-methylcyclohexyl)phenyl]-1,3-difluorobenzene;methane;molecular hydrogen
CID 161191051

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane?
The IUPAC name of 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane (CID 54730456) is 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane.
What is the SMILES notation for 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane?
The canonical SMILES for 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane is COCCCCC[SiH]1CCC(c2cc(F)c(-c3ccc(C(F)=CF)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane?
The InChIKey is OFUVXKMVOMCSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F5OSi/c1-31-9-3-2-4-10-32-11-7-17(8-12-32)19-14-22(28)25(23(29)15-19)18-5-6-20(21(27)13-18)24(30)16-26/h5-6,13-17,32H,2-4,7-12H2,1H3.
What are the key properties of 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane?
4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane has a molecular weight of 468.58 g/mol, XLogP of 7.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1,2-difluoroethenyl)-3-fluorophenyl]-3,5-difluorophenyl]-1-(5-methoxypentyl)silinane is sourced from PubChem (CID 54730456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).