(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane

C13H30FO3PSi — CID 10686582

IUPAC(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane
SMILESCCOP(=O)(OCC)C(F)(CCC(C)C)[Si](C)(C)C
InChIInChI=1S/C13H30FO3PSi/c1-8-16-18(15,17-9-2)13(14,19(5,6)7)11-10-12(3)4/h12H,8-11H2,1-7H3
InChIKeyUTAAPKAWUDYGNE-UHFFFAOYSA-N
MW312.44 g/mol
LogP5.23
Rot. Bonds9

About (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane

(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane (PubChem CID 10686582) has the molecular formula C13H30FO3PSi and a molecular weight of 312.44 g/mol. Its IUPAC name is (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane.

Molecular Properties

Compound Name(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane
PubChem CID10686582
Molecular FormulaC13H30FO3PSi
Molecular Weight312.44 g/mol
Exact Mass312.17
IUPAC Name(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane
SMILESCCOP(=O)(OCC)C(F)(CCC(C)C)[Si](C)(C)C
InChIInChI=1S/C13H30FO3PSi/c1-8-16-18(15,17-9-2)13(14,19(5,6)7)11-10-12(3)4/h12H,8-11H2,1-7H3
InChIKeyUTAAPKAWUDYGNE-UHFFFAOYSA-N
XLogP5.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
ethyl 4-chloro-2-diethoxyphosphoryl-2-fluoro-3-oxopentanoate
CID 11209783
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine
CID 10786574
1-diethoxyphosphoryl-1,1-difluoro-2-methylundecane
CID 15272233
(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane
CID 71662126
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741
1-diethoxyphosphoryl-1-fluoro-4-methylpentane
CID 10681487
(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane
CID 58807017
(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane
CID 87841751
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane
CID 101056874

Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane?
The IUPAC name of (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane (CID 10686582) is (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane.
What is the SMILES notation for (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane?
The canonical SMILES for (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane is CCOP(=O)(OCC)C(F)(CCC(C)C)[Si](C)(C)C.
What is the InChIKey of (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane?
The InChIKey is UTAAPKAWUDYGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30FO3PSi/c1-8-16-18(15,17-9-2)13(14,19(5,6)7)11-10-12(3)4/h12H,8-11H2,1-7H3.
What are the key properties of (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane?
(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane has a molecular weight of 312.44 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane is sourced from PubChem (CID 10686582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).