trifluoromethyl dihydrogen phosphate

CH2F3O4P — CID 23129820

IUPACtrifluoromethyl dihydrogen phosphate
SMILESO=P(O)(O)OC(F)(F)F
InChIInChI=1S/CH2F3O4P/c2-1(3,4)8-9(5,6)7/h(H2,5,6,7)
InChIKeyXFSPFPFUBRZQFO-UHFFFAOYSA-N
MW165.99 g/mol
LogP0.62
Rot. Bonds1

About trifluoromethyl dihydrogen phosphate

trifluoromethyl dihydrogen phosphate (PubChem CID 23129820) has the molecular formula CH2F3O4P and a molecular weight of 165.99 g/mol. Its IUPAC name is trifluoromethyl dihydrogen phosphate.

Molecular Properties

Compound Nametrifluoromethyl dihydrogen phosphate
PubChem CID23129820
Molecular FormulaCH2F3O4P
Molecular Weight165.99 g/mol
Exact Mass165.96
IUPAC Nametrifluoromethyl dihydrogen phosphate
SMILESO=P(O)(O)OC(F)(F)F
InChIInChI=1S/CH2F3O4P/c2-1(3,4)8-9(5,6)7/h(H2,5,6,7)
InChIKeyXFSPFPFUBRZQFO-UHFFFAOYSA-N
XLogP0.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.99
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trifluoromethoxy(trifluoromethyl)phosphinic acid
CID 175007111
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885
[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl] dihydrogen phosphate
CID 87127911
(1,1,1,2,2,4,4,5,5,5-decafluoro-3-methylpentan-3-yl) dihydrogen phosphate
CID 87463098
trifluoro-[trifluoromethoxy(trifluoromethyl)phosphoryl]oxymethane
CID 87127913
[1,1,2,2,3-pentafluoro-3,3-bis(trimethylsilyl)propyl] dihydrogen phosphate
CID 87637332
[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate
CID 87637334
methyl bis(trifluoromethyl) phosphate
CID 87128096
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
1,1,1,5,5,5-hexafluoropentan-3-yl dihydrogen phosphate
CID 87107506
1,1,2,2,3,3,6,6,6-nonafluorohexyl dihydrogen phosphate
CID 87764854
phosphono 2,2,2-trifluoroacetate
CID 57464439

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl dihydrogen phosphate?
The IUPAC name of trifluoromethyl dihydrogen phosphate (CID 23129820) is trifluoromethyl dihydrogen phosphate.
What is the SMILES notation for trifluoromethyl dihydrogen phosphate?
The canonical SMILES for trifluoromethyl dihydrogen phosphate is O=P(O)(O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl dihydrogen phosphate?
The InChIKey is XFSPFPFUBRZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2F3O4P/c2-1(3,4)8-9(5,6)7/h(H2,5,6,7).
What are the key properties of trifluoromethyl dihydrogen phosphate?
trifluoromethyl dihydrogen phosphate has a molecular weight of 165.99 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl dihydrogen phosphate is sourced from PubChem (CID 23129820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).