trifluoromethoxy(trifluoromethyl)phosphinic acid

C2HF6O3P — CID 175007111

IUPACtrifluoromethoxy(trifluoromethyl)phosphinic acid
SMILESO=P(O)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF6O3P/c3-1(4,5)11-12(9,10)2(6,7)8/h(H,9,10)
InChIKeyLZNLYTWEFOOSKH-UHFFFAOYSA-N
MW217.99 g/mol
LogP2.23
Rot. Bonds1

About trifluoromethoxy(trifluoromethyl)phosphinic acid

trifluoromethoxy(trifluoromethyl)phosphinic acid (PubChem CID 175007111) has the molecular formula C2HF6O3P and a molecular weight of 217.99 g/mol. Its IUPAC name is trifluoromethoxy(trifluoromethyl)phosphinic acid.

Molecular Properties

Compound Nametrifluoromethoxy(trifluoromethyl)phosphinic acid
PubChem CID175007111
Molecular FormulaC2HF6O3P
Molecular Weight217.99 g/mol
Exact Mass217.96
IUPAC Nametrifluoromethoxy(trifluoromethyl)phosphinic acid
SMILESO=P(O)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF6O3P/c3-1(4,5)11-12(9,10)2(6,7)8/h(H,9,10)
InChIKeyLZNLYTWEFOOSKH-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.99
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trifluoromethyl dihydrogen phosphate
CID 23129820
trifluoro-[trifluoromethoxy(trifluoromethyl)phosphoryl]oxymethane
CID 87127913
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885
methyl bis(trifluoromethyl) phosphate
CID 87128096
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
3-methylbutoxy(trifluoromethyl)phosphinic acid
CID 154237685
[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid
CID 118861926
bromo(trifluoro)methane;phosphoric acid
CID 172736690
methoxy(1,1,2,2,2-pentafluoroethyl)phosphinic acid
CID 75530351
ethenyl bis(trifluoromethyl) phosphate
CID 172804710
[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl] dihydrogen phosphate
CID 87127911

Frequently Asked Questions

What is the IUPAC name of trifluoromethoxy(trifluoromethyl)phosphinic acid?
The IUPAC name of trifluoromethoxy(trifluoromethyl)phosphinic acid (CID 175007111) is trifluoromethoxy(trifluoromethyl)phosphinic acid.
What is the SMILES notation for trifluoromethoxy(trifluoromethyl)phosphinic acid?
The canonical SMILES for trifluoromethoxy(trifluoromethyl)phosphinic acid is O=P(O)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of trifluoromethoxy(trifluoromethyl)phosphinic acid?
The InChIKey is LZNLYTWEFOOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6O3P/c3-1(4,5)11-12(9,10)2(6,7)8/h(H,9,10).
What are the key properties of trifluoromethoxy(trifluoromethyl)phosphinic acid?
trifluoromethoxy(trifluoromethyl)phosphinic acid has a molecular weight of 217.99 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxy(trifluoromethyl)phosphinic acid is sourced from PubChem (CID 175007111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).