difluoro 2,2,2-trifluoroethyl phosphate

C2H2F5O4P — CID 87128510

IUPACdifluoro 2,2,2-trifluoroethyl phosphate
SMILESO=P(OF)(OF)OCC(F)(F)F
InChIInChI=1S/C2H2F5O4P/c3-2(4,5)1-9-12(8,10-6)11-7/h1H2
InChIKeyUVGHZHIDEQCHAO-UHFFFAOYSA-N
MW216.00 g/mol
LogP2.48
Rot. Bonds4

About difluoro 2,2,2-trifluoroethyl phosphate

difluoro 2,2,2-trifluoroethyl phosphate (PubChem CID 87128510) has the molecular formula C2H2F5O4P and a molecular weight of 216.00 g/mol. Its IUPAC name is difluoro 2,2,2-trifluoroethyl phosphate.

Molecular Properties

Compound Namedifluoro 2,2,2-trifluoroethyl phosphate
PubChem CID87128510
Molecular FormulaC2H2F5O4P
Molecular Weight216.00 g/mol
Exact Mass215.96
IUPAC Namedifluoro 2,2,2-trifluoroethyl phosphate
SMILESO=P(OF)(OF)OCC(F)(F)F
InChIInChI=1S/C2H2F5O4P/c3-2(4,5)1-9-12(8,10-6)11-7/h1H2
InChIKeyUVGHZHIDEQCHAO-UHFFFAOYSA-N
XLogP2.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.00
LogP ≤ 52.48
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 difluoro 2,2,2-trifluoroethyl phosphate?
The IUPAC name of difluoro 2,2,2-trifluoroethyl phosphate (CID 87128510) is difluoro 2,2,2-trifluoroethyl phosphate.
What is the SMILES notation for difluoro 2,2,2-trifluoroethyl phosphate?
The canonical SMILES for difluoro 2,2,2-trifluoroethyl phosphate is O=P(OF)(OF)OCC(F)(F)F.
What is the InChIKey of difluoro 2,2,2-trifluoroethyl phosphate?
The InChIKey is UVGHZHIDEQCHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F5O4P/c3-2(4,5)1-9-12(8,10-6)11-7/h1H2.
What are the key properties of difluoro 2,2,2-trifluoroethyl phosphate?
difluoro 2,2,2-trifluoroethyl phosphate has a molecular weight of 216.00 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro 2,2,2-trifluoroethyl phosphate is sourced from PubChem (CID 87128510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).