methyl 2,2,2-trifluoroethyl hydrogen phosphate

C3H6F3O4P — CID 15685162

IUPACmethyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C3H6F3O4P/c1-9-11(7,8)10-2-3(4,5)6/h2H2,1H3,(H,7,8)
InChIKeyXSQZOJHPJXOYSA-UHFFFAOYSA-N
MW194.04 g/mol
LogP1.31
Rot. Bonds3

About methyl 2,2,2-trifluoroethyl hydrogen phosphate

methyl 2,2,2-trifluoroethyl hydrogen phosphate (PubChem CID 15685162) has the molecular formula C3H6F3O4P and a molecular weight of 194.04 g/mol. Its IUPAC name is methyl 2,2,2-trifluoroethyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl 2,2,2-trifluoroethyl hydrogen phosphate
PubChem CID15685162
Molecular FormulaC3H6F3O4P
Molecular Weight194.04 g/mol
Exact Mass194.00
IUPAC Namemethyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C3H6F3O4P/c1-9-11(7,8)10-2-3(4,5)6/h2H2,1H3,(H,7,8)
InChIKeyXSQZOJHPJXOYSA-UHFFFAOYSA-N
XLogP1.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Poly(difluoromethylene), alpha-fluoro-omega-(2-(phosphonooxy)ethyl)-
CID 171655
2,2,3,3-Tetrafluoropropyl Dihydrogen Phosphate
CID 14027070
2,2,2-Trifluoroethyl phosphate
CID 151044
Bis(2,2,2-trifluoroethyl)phosphoric acid
CID 4421775
Bis(2,2,3,3-tetrafluoropropyl)phosphoric acid
CID 12516190
2,2-Difluorovinyl dimethyl phosphate
CID 21390679
2,2-Difluoroethyl dihydrogen phosphate
CID 88950660
1,1,2-Trifluoroethyl dihydrogen phosphate
CID 91190538
Phosphoric acid hydrogen ethyl 2,2,2-trifluoroethyl ester
CID 10330666
ethyl P-difluoromethylphosphinate
CID 10396948
Hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 13168475
Phosphoric acid 2,2,2-trifluoroethyldiethyl ester
CID 13368233

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,2-trifluoroethyl hydrogen phosphate?
The IUPAC name of methyl 2,2,2-trifluoroethyl hydrogen phosphate (CID 15685162) is methyl 2,2,2-trifluoroethyl hydrogen phosphate.
What is the SMILES notation for methyl 2,2,2-trifluoroethyl hydrogen phosphate?
The canonical SMILES for methyl 2,2,2-trifluoroethyl hydrogen phosphate is COP(=O)(O)OCC(F)(F)F.
What is the InChIKey of methyl 2,2,2-trifluoroethyl hydrogen phosphate?
The InChIKey is XSQZOJHPJXOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O4P/c1-9-11(7,8)10-2-3(4,5)6/h2H2,1H3,(H,7,8).
What are the key properties of methyl 2,2,2-trifluoroethyl hydrogen phosphate?
methyl 2,2,2-trifluoroethyl hydrogen phosphate has a molecular weight of 194.04 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,2-trifluoroethyl hydrogen phosphate is sourced from PubChem (CID 15685162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).