ethyl 2,2,2-trifluoroethyl hydrogen phosphate

C4H8F3O4P — CID 10330666

IUPACethyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESCCOP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C4H8F3O4P/c1-2-10-12(8,9)11-3-4(5,6)7/h2-3H2,1H3,(H,8,9)
InChIKeyZWTDXNSOKPLQMO-UHFFFAOYSA-N
MW208.07 g/mol
LogP1.70
Rot. Bonds4

About ethyl 2,2,2-trifluoroethyl hydrogen phosphate

ethyl 2,2,2-trifluoroethyl hydrogen phosphate (PubChem CID 10330666) has the molecular formula C4H8F3O4P and a molecular weight of 208.07 g/mol. Its IUPAC name is ethyl 2,2,2-trifluoroethyl hydrogen phosphate.

Molecular Properties

Compound Nameethyl 2,2,2-trifluoroethyl hydrogen phosphate
PubChem CID10330666
Molecular FormulaC4H8F3O4P
Molecular Weight208.07 g/mol
Exact Mass208.01
IUPAC Nameethyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESCCOP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C4H8F3O4P/c1-2-10-12(8,9)11-3-4(5,6)7/h2-3H2,1H3,(H,8,9)
InChIKeyZWTDXNSOKPLQMO-UHFFFAOYSA-N
XLogP1.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 51.70
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

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Tris(2,2,2-Trifluoroethyl) phosphate
CID 303454
Poly(difluoromethylene), alpha-fluoro-omega-(2-(phosphonooxy)ethyl)-
CID 171655
Diethyl (2,2,2-trifluoro-1-hydroxyethyl)phosphonate
CID 4568496
Bis(3,3,3-trifluoropropyl) hydrogen phosphate
CID 171653
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Diethylbeta,beta-difluorovinyl phosphate
CID 12652589
Diethyl trifluorovinylphosphonate
CID 14115299
2,2,2-Trifluoroethyl phosphate
CID 151044
Bis(2,2,2-trifluoroethyl)phosphoric acid
CID 4421775
Agn-PC-0nco3N
CID 10910399

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,2-trifluoroethyl hydrogen phosphate?
The IUPAC name of ethyl 2,2,2-trifluoroethyl hydrogen phosphate (CID 10330666) is ethyl 2,2,2-trifluoroethyl hydrogen phosphate.
What is the SMILES notation for ethyl 2,2,2-trifluoroethyl hydrogen phosphate?
The canonical SMILES for ethyl 2,2,2-trifluoroethyl hydrogen phosphate is CCOP(=O)(O)OCC(F)(F)F.
What is the InChIKey of ethyl 2,2,2-trifluoroethyl hydrogen phosphate?
The InChIKey is ZWTDXNSOKPLQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3O4P/c1-2-10-12(8,9)11-3-4(5,6)7/h2-3H2,1H3,(H,8,9).
What are the key properties of ethyl 2,2,2-trifluoroethyl hydrogen phosphate?
ethyl 2,2,2-trifluoroethyl hydrogen phosphate has a molecular weight of 208.07 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,2-trifluoroethyl hydrogen phosphate is sourced from PubChem (CID 10330666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).