ethyl methyl 2,2,2-trifluoroethyl phosphate

C5H10F3O4P — CID 87424600

IUPACethyl methyl 2,2,2-trifluoroethyl phosphate
SMILESCCOP(=O)(OC)OCC(F)(F)F
InChIInChI=1S/C5H10F3O4P/c1-3-11-13(9,10-2)12-4-5(6,7)8/h3-4H2,1-2H3
InChIKeyAWIZDAABIHLIDY-UHFFFAOYSA-N
MW222.10 g/mol
LogP2.36
Rot. Bonds5

About ethyl methyl 2,2,2-trifluoroethyl phosphate

ethyl methyl 2,2,2-trifluoroethyl phosphate (PubChem CID 87424600) has the molecular formula C5H10F3O4P and a molecular weight of 222.10 g/mol. Its IUPAC name is ethyl methyl 2,2,2-trifluoroethyl phosphate.

Molecular Properties

Compound Nameethyl methyl 2,2,2-trifluoroethyl phosphate
PubChem CID87424600
Molecular FormulaC5H10F3O4P
Molecular Weight222.10 g/mol
Exact Mass222.03
IUPAC Nameethyl methyl 2,2,2-trifluoroethyl phosphate
SMILESCCOP(=O)(OC)OCC(F)(F)F
InChIInChI=1S/C5H10F3O4P/c1-3-11-13(9,10-2)12-4-5(6,7)8/h3-4H2,1-2H3
InChIKeyAWIZDAABIHLIDY-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 52.36
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

2,2,3,3,4,4,4-heptafluorobutyl methyl propyl phosphate
CID 140877788
dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864
(3-diethoxyphosphoryloxy-2,2-dimethylpropyl) diethyl phosphate
CID 518173
bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
CID 170100771
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate
CID 122456269
2-[ethoxy(ethyl)phosphoryl]-1,1,1-trifluoroethane
CID 6421638
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
benzyl ethyl methyl phosphate
CID 152677778

Frequently Asked Questions

What is the IUPAC name of ethyl methyl 2,2,2-trifluoroethyl phosphate?
The IUPAC name of ethyl methyl 2,2,2-trifluoroethyl phosphate (CID 87424600) is ethyl methyl 2,2,2-trifluoroethyl phosphate.
What is the SMILES notation for ethyl methyl 2,2,2-trifluoroethyl phosphate?
The canonical SMILES for ethyl methyl 2,2,2-trifluoroethyl phosphate is CCOP(=O)(OC)OCC(F)(F)F.
What is the InChIKey of ethyl methyl 2,2,2-trifluoroethyl phosphate?
The InChIKey is AWIZDAABIHLIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3O4P/c1-3-11-13(9,10-2)12-4-5(6,7)8/h3-4H2,1-2H3.
What are the key properties of ethyl methyl 2,2,2-trifluoroethyl phosphate?
ethyl methyl 2,2,2-trifluoroethyl phosphate has a molecular weight of 222.10 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methyl 2,2,2-trifluoroethyl phosphate is sourced from PubChem (CID 87424600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).