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

C5H12F3O2PS — CID 170264371

IUPACtrifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane
SMILESCOP(C)(=O)CCCS(F)(F)F
InChIInChI=1S/C5H12F3O2PS/c1-10-11(2,9)4-3-5-12(6,7)8/h3-5H2,1-2H3
InChIKeyDIEQIWSSGFHKAV-UHFFFAOYSA-N
MW224.18 g/mol
LogP3.39
Rot. Bonds5

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

trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane (PubChem CID 170264371) has the molecular formula C5H12F3O2PS and a molecular weight of 224.18 g/mol. Its IUPAC name is trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane
PubChem CID170264371
Molecular FormulaC5H12F3O2PS
Molecular Weight224.18 g/mol
Exact Mass224.02
IUPAC Nametrifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane
SMILESCOP(C)(=O)CCCS(F)(F)F
InChIInChI=1S/C5H12F3O2PS/c1-10-11(2,9)4-3-5-12(6,7)8/h3-5H2,1-2H3
InChIKeyDIEQIWSSGFHKAV-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane?
The IUPAC name of trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane (CID 170264371) is trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane.
What is the SMILES notation for trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane?
The canonical SMILES for trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane is COP(C)(=O)CCCS(F)(F)F.
What is the InChIKey of trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane?
The InChIKey is DIEQIWSSGFHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3O2PS/c1-10-11(2,9)4-3-5-12(6,7)8/h3-5H2,1-2H3.
What are the key properties of trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane?
trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane has a molecular weight of 224.18 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-λ4-sulfane is sourced from PubChem (CID 170264371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).