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

C6H15F2O2PS — CID 170264519

IUPACdifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane
SMILESCOP(C)(=O)CCCS(C)(F)F
InChIInChI=1S/C6H15F2O2PS/c1-10-11(2,9)5-4-6-12(3,7)8/h4-6H2,1-3H3
InChIKeyOTTAFBYYJASQRQ-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.13
Rot. Bonds5

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

difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane (PubChem CID 170264519) has the molecular formula C6H15F2O2PS and a molecular weight of 220.22 g/mol. Its IUPAC name is difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane.

Molecular Properties

Compound Namedifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane
PubChem CID170264519
Molecular FormulaC6H15F2O2PS
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Namedifluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane
SMILESCOP(C)(=O)CCCS(C)(F)F
InChIInChI=1S/C6H15F2O2PS/c1-10-11(2,9)5-4-6-12(3,7)8/h4-6H2,1-3H3
InChIKeyOTTAFBYYJASQRQ-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-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 difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane?
The IUPAC name of difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane (CID 170264519) is difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane.
What is the SMILES notation for difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane?
The canonical SMILES for difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane is COP(C)(=O)CCCS(C)(F)F.
What is the InChIKey of difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane?
The InChIKey is OTTAFBYYJASQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F2O2PS/c1-10-11(2,9)5-4-6-12(3,7)8/h4-6H2,1-3H3.
What are the key properties of difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane?
difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane has a molecular weight of 220.22 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[3-[methoxy(methyl)phosphoryl]propyl]-methyl-λ4-sulfane is sourced from PubChem (CID 170264519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).