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

C5H12F3O3PS — CID 170264386

IUPACtrifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane
SMILESCOP(C)(=O)OCCCS(F)(F)F
InChIInChI=1S/C5H12F3O3PS/c1-10-12(2,9)11-4-3-5-13(6,7)8/h3-5H2,1-2H3
InChIKeyCQGQDGTVJSSULN-UHFFFAOYSA-N
MW240.18 g/mol
LogP3.32
Rot. Bonds6

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

trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane (PubChem CID 170264386) has the molecular formula C5H12F3O3PS and a molecular weight of 240.18 g/mol. Its IUPAC name is trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane
PubChem CID170264386
Molecular FormulaC5H12F3O3PS
Molecular Weight240.18 g/mol
Exact Mass240.02
IUPAC Nametrifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane
SMILESCOP(C)(=O)OCCCS(F)(F)F
InChIInChI=1S/C5H12F3O3PS/c1-10-12(2,9)11-4-3-5-13(6,7)8/h3-5H2,1-2H3
InChIKeyCQGQDGTVJSSULN-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 53.32
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

Phosphonothioic acid, P-methyl-, O,S-diethyl ester
CID 520177
O-ethyl O-methyl S-propylphosphorothioate (metabolite of ethoprop)
CID 77098499
O-Ethyl S-propyl P-methylphosphonothioate
CID 83128
O-Ethyl S-propan-2-yl methylphosphonothioate
CID 3049712
O,S-Dipropyl methylphosphonothioate
CID 198659
1-[Ethoxy(methyl)phosphoryl]sulfanylbutane
CID 556210
O-ethyl S-propyl phosphonothioate
CID 20691922
1-[Ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane
CID 13207021
1-[Methoxy(2,2,2-trifluoroethoxy)phosphoryl]sulfanylpropane
CID 20350049
3-Diethoxyphosphorylpropyl(trifluoro)-lambda4-sulfane
CID 170264289
Diethyl 3-(trifluoro-lambda4-sulfanyl)propyl phosphate
CID 170264290
Trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-lambda4-sulfane
CID 170264371

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane?
The IUPAC name of trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane (CID 170264386) is trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane.
What is the SMILES notation for trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane?
The canonical SMILES for trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane is COP(C)(=O)OCCCS(F)(F)F.
What is the InChIKey of trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane?
The InChIKey is CQGQDGTVJSSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3O3PS/c1-10-12(2,9)11-4-3-5-13(6,7)8/h3-5H2,1-2H3.
What are the key properties of trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane?
trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane has a molecular weight of 240.18 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[methoxy(methyl)phosphoryl]oxypropyl]-λ4-sulfane is sourced from PubChem (CID 170264386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).