1,2-bis(difluorophosphoryloxy)ethane

C2H4F4O4P2 — CID 139386981

IUPAC1,2-bis(difluorophosphoryloxy)ethane
SMILESO=P(F)(F)OCCOP(=O)(F)F
InChIInChI=1S/C2H4F4O4P2/c3-11(4,7)9-1-2-10-12(5,6)8/h1-2H2
InChIKeyTZZLZBQIIBHMTO-UHFFFAOYSA-N
MW229.99 g/mol
LogP3.11
Rot. Bonds5

About 1,2-bis(difluorophosphoryloxy)ethane

1,2-bis(difluorophosphoryloxy)ethane (PubChem CID 139386981) has the molecular formula C2H4F4O4P2 and a molecular weight of 229.99 g/mol. Its IUPAC name is 1,2-bis(difluorophosphoryloxy)ethane.

Molecular Properties

Compound Name1,2-bis(difluorophosphoryloxy)ethane
PubChem CID139386981
Molecular FormulaC2H4F4O4P2
Molecular Weight229.99 g/mol
Exact Mass229.95
IUPAC Name1,2-bis(difluorophosphoryloxy)ethane
SMILESO=P(F)(F)OCCOP(=O)(F)F
InChIInChI=1S/C2H4F4O4P2/c3-11(4,7)9-1-2-10-12(5,6)8/h1-2H2
InChIKeyTZZLZBQIIBHMTO-UHFFFAOYSA-N
XLogP3.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.99
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(difluorophosphoryloxy)ethane?
The IUPAC name of 1,2-bis(difluorophosphoryloxy)ethane (CID 139386981) is 1,2-bis(difluorophosphoryloxy)ethane.
What is the SMILES notation for 1,2-bis(difluorophosphoryloxy)ethane?
The canonical SMILES for 1,2-bis(difluorophosphoryloxy)ethane is O=P(F)(F)OCCOP(=O)(F)F.
What is the InChIKey of 1,2-bis(difluorophosphoryloxy)ethane?
The InChIKey is TZZLZBQIIBHMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F4O4P2/c3-11(4,7)9-1-2-10-12(5,6)8/h1-2H2.
What are the key properties of 1,2-bis(difluorophosphoryloxy)ethane?
1,2-bis(difluorophosphoryloxy)ethane has a molecular weight of 229.99 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(difluorophosphoryloxy)ethane is sourced from PubChem (CID 139386981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).