(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane

C13H29F2O5PSi — CID 87841751

IUPAC(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCC(F)(F)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C13H29F2O5PSi/c1-6-17-21(16,18-7-2)13(14,15)11-10-12-22(5,19-8-3)20-9-4/h6-12H2,1-5H3
InChIKeyHZAGURMTTBBGMR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.77
Rot. Bonds13

About (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane

(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane (PubChem CID 87841751) has the molecular formula C13H29F2O5PSi and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane.

Molecular Properties

Compound Name(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane
PubChem CID87841751
Molecular FormulaC13H29F2O5PSi
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCC(F)(F)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C13H29F2O5PSi/c1-6-17-21(16,18-7-2)13(14,15)11-10-12-22(5,19-8-3)20-9-4/h6-12H2,1-5H3
InChIKeyHZAGURMTTBBGMR-UHFFFAOYSA-N
XLogP4.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane?
The IUPAC name of (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane (CID 87841751) is (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane.
What is the SMILES notation for (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane?
The canonical SMILES for (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane is CCO[Si](C)(CCCC(F)(F)P(=O)(OCC)OCC)OCC.
What is the InChIKey of (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane?
The InChIKey is HZAGURMTTBBGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29F2O5PSi/c1-6-17-21(16,18-7-2)13(14,15)11-10-12-22(5,19-8-3)20-9-4/h6-12H2,1-5H3.
What are the key properties of (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane?
(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane has a molecular weight of 362.43 g/mol, XLogP of 4.77, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane is sourced from PubChem (CID 87841751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).