[[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane

C14H25FNO4PSSi — CID 170607299

IUPAC[[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
SMILESCCOP(=O)(CS(=O)(=N[Si](C)(C)C)c1ccccc1F)OCC
InChIInChI=1S/C14H25FNO4PSSi/c1-6-19-21(17,20-7-2)12-22(18,16-23(3,4)5)14-11-9-8-10-13(14)15/h8-11H,6-7,12H2,1-5H3
InChIKeyDPUNQUPSRYJFCE-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.71
Rot. Bonds8

About [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane

[[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane (PubChem CID 170607299) has the molecular formula C14H25FNO4PSSi and a molecular weight of 381.48 g/mol. Its IUPAC name is [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane.

Molecular Properties

Compound Name[[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
PubChem CID170607299
Molecular FormulaC14H25FNO4PSSi
Molecular Weight381.48 g/mol
Exact Mass381.10
IUPAC Name[[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
SMILESCCOP(=O)(CS(=O)(=N[Si](C)(C)C)c1ccccc1F)OCC
InChIInChI=1S/C14H25FNO4PSSi/c1-6-19-21(17,20-7-2)12-22(18,16-23(3,4)5)14-11-9-8-10-13(14)15/h8-11H,6-7,12H2,1-5H3
InChIKeyDPUNQUPSRYJFCE-UHFFFAOYSA-N
XLogP4.71
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.71
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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Related Compounds

[[diethoxyphosphorylmethyl-(4-methoxyphenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607301
[[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607338
(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
CID 125424706
methyl 2-(diethoxyphosphorylmethyl)benzenesulfonate
CID 156768430
[ethoxy(ethyl)phosphoryl] 2-methylbenzenesulfonate
CID 174621975
(S)-diethoxyphosphoryl-(2-fluorophenyl)methanamine
CID 171191639
3-(diethoxyphosphorylmethyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 20687305
2-(diethoxyphosphorylmethyl)-3-fluoroaniline
CID 166609654
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane
CID 10048153
2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine
CID 59016132
lithium diethoxyphosphorylmethanesulfonate
CID 23683927

Frequently Asked Questions

What is the IUPAC name of [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The IUPAC name of [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane (CID 170607299) is [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane.
What is the SMILES notation for [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The canonical SMILES for [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane is CCOP(=O)(CS(=O)(=N[Si](C)(C)C)c1ccccc1F)OCC.
What is the InChIKey of [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The InChIKey is DPUNQUPSRYJFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FNO4PSSi/c1-6-19-21(17,20-7-2)12-22(18,16-23(3,4)5)14-11-9-8-10-13(14)15/h8-11H,6-7,12H2,1-5H3.
What are the key properties of [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
[[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane has a molecular weight of 381.48 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[diethoxyphosphorylmethyl-(2-fluorophenyl)-oxo-λ6-sulfanylidene]amino]-trimethylsilane is sourced from PubChem (CID 170607299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).