difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane

C6H15F2O3PS — CID 170264550

IUPACdifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane
SMILESCOP(C)(=O)OCCCS(C)(F)F
InChIInChI=1S/C6H15F2O3PS/c1-10-12(2,9)11-5-4-6-13(3,7)8/h4-6H2,1-3H3
InChIKeyGPIUOUCUNLOGOA-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.07
Rot. Bonds6

About difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane

difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane (PubChem CID 170264550) has the molecular formula C6H15F2O3PS and a molecular weight of 236.22 g/mol. Its IUPAC name is difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane.

Molecular Properties

Compound Namedifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane
PubChem CID170264550
Molecular FormulaC6H15F2O3PS
Molecular Weight236.22 g/mol
Exact Mass236.04
IUPAC Namedifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane
SMILESCOP(C)(=O)OCCCS(C)(F)F
InChIInChI=1S/C6H15F2O3PS/c1-10-12(2,9)11-5-4-6-13(3,7)8/h4-6H2,1-3H3
InChIKeyGPIUOUCUNLOGOA-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Diethoxyphosphorylpropyl-difluoro-methyl-lambda4-sulfane
CID 170264287
3-Diethoxyphosphorylpropyl(trifluoro)-lambda4-sulfane
CID 170264289
Trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-lambda4-sulfane
CID 170264386
Dimethyl 3-(trifluoro-lambda4-sulfanyl)propyl phosphate
CID 170264387
Difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-lambda4-sulfane
CID 170264519
3-[Difluoro(methyl)-lambda4-sulfanyl]propyl diethyl phosphate
CID 170264543
3-[Difluoro(methyl)-lambda4-sulfanyl]propyl dimethyl phosphate
CID 170264553
2-Dimethoxyphosphorylethyl-difluoro-methyl-lambda4-sulfane
CID 170264564
3-Dimethoxyphosphorylpropyl-difluoro-methyl-lambda4-sulfane
CID 170264565
Diethyl 3-[fluoro(dimethyl)-lambda4-sulfanyl]propyl phosphate
CID 170265358
1-(Diethoxyphosphorylmethylsulfanyl)butane
CID 134882639
1-(Diethoxyphosphorylmethylsulfanyl)propane
CID 59811116

Frequently Asked Questions

What is the IUPAC name of difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane?
The IUPAC name of difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane (CID 170264550) is difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane.
What is the SMILES notation for difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane?
The canonical SMILES for difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane is COP(C)(=O)OCCCS(C)(F)F.
What is the InChIKey of difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane?
The InChIKey is GPIUOUCUNLOGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F2O3PS/c1-10-12(2,9)11-5-4-6-13(3,7)8/h4-6H2,1-3H3.
What are the key properties of difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane?
difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane has a molecular weight of 236.22 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-methyl-λ4-sulfane is sourced from PubChem (CID 170264550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).