methyl bis(2,2,2-trifluoroethyl) phosphate

C5H7F6O4P — CID 15531203

IUPACmethyl bis(2,2,2-trifluoroethyl) phosphate
SMILESCOP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H7F6O4P/c1-13-16(12,14-2-4(6,7)8)15-3-5(9,10)11/h2-3H2,1H3
InChIKeyQPXDTULTYTZDQM-UHFFFAOYSA-N
MW276.07 g/mol
LogP2.90
Rot. Bonds5

About methyl bis(2,2,2-trifluoroethyl) phosphate

methyl bis(2,2,2-trifluoroethyl) phosphate (PubChem CID 15531203) has the molecular formula C5H7F6O4P and a molecular weight of 276.07 g/mol. Its IUPAC name is methyl bis(2,2,2-trifluoroethyl) phosphate.

Molecular Properties

Compound Namemethyl bis(2,2,2-trifluoroethyl) phosphate
PubChem CID15531203
Molecular FormulaC5H7F6O4P
Molecular Weight276.07 g/mol
Exact Mass276.00
IUPAC Namemethyl bis(2,2,2-trifluoroethyl) phosphate
SMILESCOP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H7F6O4P/c1-13-16(12,14-2-4(6,7)8)15-3-5(9,10)11/h2-3H2,1H3
InChIKeyQPXDTULTYTZDQM-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Tris(2,2,2-Trifluoroethyl) phosphate
CID 303454
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Bis(3,3,3-trifluoropropyl) hydrogen phosphate
CID 171653
Tris(1H,1H-heptafluorobutyl)phosphate
CID 2778036
2,2,3,3-Tetrafluoropropyl Dihydrogen Phosphate
CID 14027070
Bis(2,2,2-trifluoroethyl) Phosphite
CID 6386648
Phosphorofluoridic acid bis-(2,2,2-trifluoro-ethyl) ester
CID 13779322
2,2,3,3,4,4,4-Heptafluorobutyl Dihydrogen Phosphate
CID 138396490
Chloridophosphoric acid bis(2,2,2-trifluoroethyl) ester
CID 11022324
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethylbeta,beta-difluorovinyl phosphate
CID 12652589

Frequently Asked Questions

What is the IUPAC name of methyl bis(2,2,2-trifluoroethyl) phosphate?
The IUPAC name of methyl bis(2,2,2-trifluoroethyl) phosphate (CID 15531203) is methyl bis(2,2,2-trifluoroethyl) phosphate.
What is the SMILES notation for methyl bis(2,2,2-trifluoroethyl) phosphate?
The canonical SMILES for methyl bis(2,2,2-trifluoroethyl) phosphate is COP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of methyl bis(2,2,2-trifluoroethyl) phosphate?
The InChIKey is QPXDTULTYTZDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6O4P/c1-13-16(12,14-2-4(6,7)8)15-3-5(9,10)11/h2-3H2,1H3.
What are the key properties of methyl bis(2,2,2-trifluoroethyl) phosphate?
methyl bis(2,2,2-trifluoroethyl) phosphate has a molecular weight of 276.07 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bis(2,2,2-trifluoroethyl) phosphate is sourced from PubChem (CID 15531203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).