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

C19H29F3O2Si — CID 54736791

IUPAC4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
SMILESCOCCCCC[SiH]1CCC(c2ccc(OCC(F)F)c(F)c2)CC1
InChIInChI=1S/C19H29F3O2Si/c1-23-9-3-2-4-10-25-11-7-15(8-12-25)16-5-6-18(17(20)13-16)24-14-19(21)22/h5-6,13,15,19,25H,2-4,7-12,14H2,1H3
InChIKeyVVNFQVZOLVXGOK-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.39
Rot. Bonds10

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

4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane (PubChem CID 54736791) has the molecular formula C19H29F3O2Si and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
PubChem CID54736791
Molecular FormulaC19H29F3O2Si
Molecular Weight374.52 g/mol
Exact Mass374.19
IUPAC Name4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
SMILESCOCCCCC[SiH]1CCC(c2ccc(OCC(F)F)c(F)c2)CC1
InChIInChI=1S/C19H29F3O2Si/c1-23-9-3-2-4-10-25-11-7-15(8-12-25)16-5-6-18(17(20)13-16)24-14-19(21)22/h5-6,13,15,19,25H,2-4,7-12,14H2,1H3
InChIKeyVVNFQVZOLVXGOK-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane?
The IUPAC name of 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane (CID 54736791) is 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane.
What is the SMILES notation for 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane?
The canonical SMILES for 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane is COCCCCC[SiH]1CCC(c2ccc(OCC(F)F)c(F)c2)CC1.
What is the InChIKey of 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane?
The InChIKey is VVNFQVZOLVXGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O2Si/c1-23-9-3-2-4-10-25-11-7-15(8-12-25)16-5-6-18(17(20)13-16)24-14-19(21)22/h5-6,13,15,19,25H,2-4,7-12,14H2,1H3.
What are the key properties of 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane?
4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane has a molecular weight of 374.52 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane is sourced from PubChem (CID 54736791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).