dimethylphosphoryl 2,2,2-trifluoroacetate

C4H6F3O3P — CID 154646257

IUPACdimethylphosphoryl 2,2,2-trifluoroacetate
SMILESCP(C)(=O)OC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3O3P/c1-11(2,9)10-3(8)4(5,6)7/h1-2H3
InChIKeyHKQBIOZGIANPEL-UHFFFAOYSA-N
MW190.06 g/mol
LogP1.63
Rot. Bonds1

About dimethylphosphoryl 2,2,2-trifluoroacetate

dimethylphosphoryl 2,2,2-trifluoroacetate (PubChem CID 154646257) has the molecular formula C4H6F3O3P and a molecular weight of 190.06 g/mol. Its IUPAC name is dimethylphosphoryl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedimethylphosphoryl 2,2,2-trifluoroacetate
PubChem CID154646257
Molecular FormulaC4H6F3O3P
Molecular Weight190.06 g/mol
Exact Mass190.00
IUPAC Namedimethylphosphoryl 2,2,2-trifluoroacetate
SMILESCP(C)(=O)OC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3O3P/c1-11(2,9)10-3(8)4(5,6)7/h1-2H3
InChIKeyHKQBIOZGIANPEL-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.06
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphono 2,2,2-trifluoroacetate
CID 57464439
2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene
CID 175343744
(2,2,2-trifluoroacetyl) phosphate
CID 57464438
dimethylphosphoryl acetate
CID 87462570
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
3,3-dimethylbut-1-en-2-yl 2,2,2-trifluoroacetate
CID 12871431
dimethylsilyl 2,2,2-trifluoroacetate
CID 123653640
acetyl 2,2,2-trifluoroacetate;copper
CID 174842973
phosphanyl 2,2,2-trifluoroacetate
CID 88670110
tri(propan-2-yl)-(2,2,2-trifluoroacetyl)oxyphosphanium
CID 57090971
(2,2,2-trifluoro-1-hydroxyethyl) 2,2,2-trifluoroacetate
CID 57262567
acetic acid;acetyl 2,2,2-trifluoroacetate
CID 175408776

Frequently Asked Questions

What is the IUPAC name of dimethylphosphoryl 2,2,2-trifluoroacetate?
The IUPAC name of dimethylphosphoryl 2,2,2-trifluoroacetate (CID 154646257) is dimethylphosphoryl 2,2,2-trifluoroacetate.
What is the SMILES notation for dimethylphosphoryl 2,2,2-trifluoroacetate?
The canonical SMILES for dimethylphosphoryl 2,2,2-trifluoroacetate is CP(C)(=O)OC(=O)C(F)(F)F.
What is the InChIKey of dimethylphosphoryl 2,2,2-trifluoroacetate?
The InChIKey is HKQBIOZGIANPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3O3P/c1-11(2,9)10-3(8)4(5,6)7/h1-2H3.
What are the key properties of dimethylphosphoryl 2,2,2-trifluoroacetate?
dimethylphosphoryl 2,2,2-trifluoroacetate has a molecular weight of 190.06 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphoryl 2,2,2-trifluoroacetate is sourced from PubChem (CID 154646257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).