(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane

C10H19F2O3PSi — CID 71662126

IUPAC(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane
SMILESCCOP(=O)(OCC)C(F)(F)C#C[Si](C)(C)C
InChIInChI=1S/C10H19F2O3PSi/c1-6-14-16(13,15-7-2)10(11,12)8-9-17(3,4)5/h6-7H2,1-5H3
InChIKeyOHQAQCAPNYGQLB-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.73
Rot. Bonds5

About (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane

(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane (PubChem CID 71662126) has the molecular formula C10H19F2O3PSi and a molecular weight of 284.31 g/mol. Its IUPAC name is (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane
PubChem CID71662126
Molecular FormulaC10H19F2O3PSi
Molecular Weight284.31 g/mol
Exact Mass284.08
IUPAC Name(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane
SMILESCCOP(=O)(OCC)C(F)(F)C#C[Si](C)(C)C
InChIInChI=1S/C10H19F2O3PSi/c1-6-14-16(13,15-7-2)10(11,12)8-9-17(3,4)5/h6-7H2,1-5H3
InChIKeyOHQAQCAPNYGQLB-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.73
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-diethoxyphosphoryl-1,1-difluorohept-2-yne
CID 11737242
2-bromo-2-diethoxyphosphoryl-2-fluoroacetonitrile
CID 134872139
(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
4-diethoxyphosphoryl-4,4-difluorobutan-1-amine;hydrochloride
CID 86678297
(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane
CID 10686582
2-diethoxyphosphoryl-2-fluoro-2-phenylacetonitrile
CID 15446190
diethyl [(3R)-5-methyl-1-trimethylsilylhex-1-yn-3-yl] phosphate
CID 15398084
1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
CID 172746809
2-(2-diethoxyphosphoryl-2,2-difluoroethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102527295

Frequently Asked Questions

What is the IUPAC name of (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane?
The IUPAC name of (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane (CID 71662126) is (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane.
What is the SMILES notation for (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane?
The canonical SMILES for (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane is CCOP(=O)(OCC)C(F)(F)C#C[Si](C)(C)C.
What is the InChIKey of (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane?
The InChIKey is OHQAQCAPNYGQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O3PSi/c1-6-14-16(13,15-7-2)10(11,12)8-9-17(3,4)5/h6-7H2,1-5H3.
What are the key properties of (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane?
(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane has a molecular weight of 284.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane is sourced from PubChem (CID 71662126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).