3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one

C5H8F2O4P2 — CID 58891803

IUPAC3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one
SMILESO=C1OC(COP)C(OP)C1(F)F
InChIInChI=1S/C5H8F2O4P2/c6-5(7)3(11-13)2(1-9-12)10-4(5)8/h2-3H,1,12-13H2
InChIKeyQKZWWTNKEBRTRO-UHFFFAOYSA-N
MW232.06 g/mol
LogP0.53
Rot. Bonds3

About 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one

3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one (PubChem CID 58891803) has the molecular formula C5H8F2O4P2 and a molecular weight of 232.06 g/mol. Its IUPAC name is 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one
PubChem CID58891803
Molecular FormulaC5H8F2O4P2
Molecular Weight232.06 g/mol
Exact Mass231.99
IUPAC Name3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one
SMILESO=C1OC(COP)C(OP)C1(F)F
InChIInChI=1S/C5H8F2O4P2/c6-5(7)3(11-13)2(1-9-12)10-4(5)8/h2-3H,1,12-13H2
InChIKeyQKZWWTNKEBRTRO-UHFFFAOYSA-N
XLogP0.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one?
The IUPAC name of 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one (CID 58891803) is 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one?
The canonical SMILES for 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one is O=C1OC(COP)C(OP)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one?
The InChIKey is QKZWWTNKEBRTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O4P2/c6-5(7)3(11-13)2(1-9-12)10-4(5)8/h2-3H,1,12-13H2.
What are the key properties of 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one?
3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one has a molecular weight of 232.06 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one is sourced from PubChem (CID 58891803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).