(2,2,2-trifluoroacetyl) phosphate

C2F3O5P-2 — CID 57464438

IUPAC(2,2,2-trifluoroacetyl) phosphate
SMILESO=C(OP(=O)([O-])[O-])C(F)(F)F
InChIInChI=1S/C2H2F3O5P/c3-2(4,5)1(6)10-11(7,8)9/h(H2,7,8,9)/p-2
InChIKeyGOFOLJGSPJQXCR-UHFFFAOYSA-L
MW191.98 g/mol
LogP-1.08
Rot. Bonds1

About (2,2,2-trifluoroacetyl) phosphate

(2,2,2-trifluoroacetyl) phosphate (PubChem CID 57464438) has the molecular formula C2F3O5P-2 and a molecular weight of 191.98 g/mol. Its IUPAC name is (2,2,2-trifluoroacetyl) phosphate.

Molecular Properties

Compound Name(2,2,2-trifluoroacetyl) phosphate
PubChem CID57464438
Molecular FormulaC2F3O5P-2
Molecular Weight191.98 g/mol
Exact Mass191.94
IUPAC Name(2,2,2-trifluoroacetyl) phosphate
SMILESO=C(OP(=O)([O-])[O-])C(F)(F)F
InChIInChI=1S/C2H2F3O5P/c3-2(4,5)1(6)10-11(7,8)9/h(H2,7,8,9)/p-2
InChIKeyGOFOLJGSPJQXCR-UHFFFAOYSA-L
XLogP-1.08
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phosphono 2,2,2-trifluoroacetate
CID 57464439
dimethylphosphoryl 2,2,2-trifluoroacetate
CID 154646257
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
trilithium;difluoro 2,2-difluoropropanedioate;phosphate
CID 172792476
2-(2,2,2-trifluoroacetyl)oxyacetate
CID 140610089
sodium 2,2,2-trifluoroacetate
CID 517019
phosphanyl 2,2,2-trifluoroacetate
CID 88670110
azanium;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;nitrate
CID 86750628
potassium 2-phosphonatooxyprop-2-enoate
CID 139597131
potassium;phosphoric acid;2,2,2-trifluoroacetate
CID 175199303
bis[(2,2,2-trifluoroacetyl)oxy]stibanyl 2,2,2-trifluoroacetate
CID 16685221
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoroacetyl) phosphate?
The IUPAC name of (2,2,2-trifluoroacetyl) phosphate (CID 57464438) is (2,2,2-trifluoroacetyl) phosphate.
What is the SMILES notation for (2,2,2-trifluoroacetyl) phosphate?
The canonical SMILES for (2,2,2-trifluoroacetyl) phosphate is O=C(OP(=O)([O-])[O-])C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoroacetyl) phosphate?
The InChIKey is GOFOLJGSPJQXCR-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2F3O5P/c3-2(4,5)1(6)10-11(7,8)9/h(H2,7,8,9)/p-2.
What are the key properties of (2,2,2-trifluoroacetyl) phosphate?
(2,2,2-trifluoroacetyl) phosphate has a molecular weight of 191.98 g/mol, XLogP of -1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroacetyl) phosphate is sourced from PubChem (CID 57464438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).