3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane

C6H15F2O3PS — CID 170264565

IUPAC3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
SMILESCOP(=O)(CCCS(C)(F)F)OC
InChIInChI=1S/C6H15F2O3PS/c1-10-12(9,11-2)5-4-6-13(3,7)8/h4-6H2,1-3H3
InChIKeyRIGDHHMJZLFLOB-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.07
Rot. Bonds6

About 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane

3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane (PubChem CID 170264565) has the molecular formula C6H15F2O3PS and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane.

Molecular Properties

Compound Name3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
PubChem CID170264565
Molecular FormulaC6H15F2O3PS
Molecular Weight236.22 g/mol
Exact Mass236.04
IUPAC Name3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
SMILESCOP(=O)(CCCS(C)(F)F)OC
InChIInChI=1S/C6H15F2O3PS/c1-10-12(9,11-2)5-4-6-13(3,7)8/h4-6H2,1-3H3
InChIKeyRIGDHHMJZLFLOB-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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
3-[difluoro(methyl)-λ4-sulfanyl]propyl methyl sulfate
CID 170264532
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
1-dimethoxyphosphoryloctan-3-one
CID 102517826
1-[dibutoxyphosphorylmethyl(methoxy)phosphoryl]oxybutane
CID 23044732
1-dimethoxyphosphoryl-4-methylpentan-3-one
CID 72546240
5-(3-dimethoxyphosphorylpropoxy)pentan-2-one
CID 58849456
3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 155355291
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
dimethoxyphosphorylmethanamine
CID 13310504
dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate
CID 146177362

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
The IUPAC name of 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane (CID 170264565) is 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane.
What is the SMILES notation for 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
The canonical SMILES for 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane is COP(=O)(CCCS(C)(F)F)OC.
What is the InChIKey of 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
The InChIKey is RIGDHHMJZLFLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F2O3PS/c1-10-12(9,11-2)5-4-6-13(3,7)8/h4-6H2,1-3H3.
What are the key properties of 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane?
3-dimethoxyphosphorylpropyl-difluoro-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 3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane is sourced from PubChem (CID 170264565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).