2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane

C5H13F2O3PS — CID 170264564

IUPAC2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane
SMILESCOP(=O)(CCS(C)(F)F)OC
InChIInChI=1S/C5H13F2O3PS/c1-9-11(8,10-2)4-5-12(3,6)7/h4-5H2,1-3H3
InChIKeyPJFHYOLGSMGPFB-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.68
Rot. Bonds5

About 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane

2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane (PubChem CID 170264564) has the molecular formula C5H13F2O3PS and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane.

Molecular Properties

Compound Name2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane
PubChem CID170264564
Molecular FormulaC5H13F2O3PS
Molecular Weight222.19 g/mol
Exact Mass222.03
IUPAC Name2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane
SMILESCOP(=O)(CCS(C)(F)F)OC
InChIInChI=1S/C5H13F2O3PS/c1-9-11(8,10-2)4-5-12(3,6)7/h4-5H2,1-3H3
InChIKeyPJFHYOLGSMGPFB-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane?
The IUPAC name of 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane (CID 170264564) is 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane.
What is the SMILES notation for 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane?
The canonical SMILES for 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane is COP(=O)(CCS(C)(F)F)OC.
What is the InChIKey of 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane?
The InChIKey is PJFHYOLGSMGPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13F2O3PS/c1-9-11(8,10-2)4-5-12(3,6)7/h4-5H2,1-3H3.
What are the key properties of 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane?
2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane has a molecular weight of 222.19 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylethyl-difluoro-methyl-λ4-sulfane is sourced from PubChem (CID 170264564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).