2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid

C3H3F6O3P — CID 118503856

IUPAC2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
SMILESO=P(O)(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6O3P/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2,(H,10,11)
InChIKeyFPZKLTVAPZLYDE-UHFFFAOYSA-N
MW232.02 g/mol
LogP2.27
Rot. Bonds2

About 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid

2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid (PubChem CID 118503856) has the molecular formula C3H3F6O3P and a molecular weight of 232.02 g/mol. Its IUPAC name is 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid.

Molecular Properties

Compound Name2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
PubChem CID118503856
Molecular FormulaC3H3F6O3P
Molecular Weight232.02 g/mol
Exact Mass231.97
IUPAC Name2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
SMILESO=P(O)(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6O3P/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2,(H,10,11)
InChIKeyFPZKLTVAPZLYDE-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid?
The IUPAC name of 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid (CID 118503856) is 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid.
What is the SMILES notation for 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid?
The canonical SMILES for 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid is O=P(O)(OCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid?
The InChIKey is FPZKLTVAPZLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6O3P/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2,(H,10,11).
What are the key properties of 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid?
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid has a molecular weight of 232.02 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid is sourced from PubChem (CID 118503856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).