(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane

C12H27F2O4PSi — CID 58807017

IUPAC(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C12H27F2O4PSi/c1-6-16-19(15,17-7-2)12(13,14)10-9-11-20(4,5)18-8-3/h6-11H2,1-5H3
InChIKeyKYISTZVXTYFISH-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.87
Rot. Bonds11

About (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane

(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane (PubChem CID 58807017) has the molecular formula C12H27F2O4PSi and a molecular weight of 332.40 g/mol. Its IUPAC name is (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane.

Molecular Properties

Compound Name(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane
PubChem CID58807017
Molecular FormulaC12H27F2O4PSi
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)CCCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C12H27F2O4PSi/c1-6-16-19(15,17-7-2)12(13,14)10-9-11-20(4,5)18-8-3/h6-11H2,1-5H3
InChIKeyKYISTZVXTYFISH-UHFFFAOYSA-N
XLogP4.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane
CID 87841751
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
4-diethoxyphosphoryl-4,4-difluorobutan-1-amine;hydrochloride
CID 86678297
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
ethoxy-(3,3,4,4,5,5,5-heptafluoropentyl)-dimethylsilane
CID 59112366
5-[ethoxy(dimethyl)silyl]-2-[3-[ethoxy(dimethyl)silyl]propyl]pentane-1,2-diamine
CID 21285290
ethoxy-[3-[methoxy(methyl)phosphoryl]oxypropyl]-dimethylsilane
CID 57271043
butan-2-yloxy-(1,1-difluoro-4-triethoxysilylbutyl)phosphinic acid
CID 87842087
2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethanamine;hydrochloride
CID 86678306
(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane
CID 71662126
2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride
CID 86678263

Frequently Asked Questions

What is the IUPAC name of (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane?
The IUPAC name of (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane (CID 58807017) is (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane.
What is the SMILES notation for (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane?
The canonical SMILES for (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane is CCO[Si](C)(C)CCCC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane?
The InChIKey is KYISTZVXTYFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27F2O4PSi/c1-6-16-19(15,17-7-2)12(13,14)10-9-11-20(4,5)18-8-3/h6-11H2,1-5H3.
What are the key properties of (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane?
(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane has a molecular weight of 332.40 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane is sourced from PubChem (CID 58807017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).