dimethyl 2,2,2-trifluoroethyl phosphate

C4H8F3O4P — CID 15466707

IUPACdimethyl 2,2,2-trifluoroethyl phosphate
SMILESCOP(=O)(OC)OCC(F)(F)F
InChIInChI=1S/C4H8F3O4P/c1-9-12(8,10-2)11-3-4(5,6)7/h3H2,1-2H3
InChIKeyODIPJXGRLMMPDM-UHFFFAOYSA-N
MW208.07 g/mol
LogP1.97
Rot. Bonds4

About dimethyl 2,2,2-trifluoroethyl phosphate

dimethyl 2,2,2-trifluoroethyl phosphate (PubChem CID 15466707) has the molecular formula C4H8F3O4P and a molecular weight of 208.07 g/mol. Its IUPAC name is dimethyl 2,2,2-trifluoroethyl phosphate.

Molecular Properties

Compound Namedimethyl 2,2,2-trifluoroethyl phosphate
PubChem CID15466707
Molecular FormulaC4H8F3O4P
Molecular Weight208.07 g/mol
Exact Mass208.01
IUPAC Namedimethyl 2,2,2-trifluoroethyl phosphate
SMILESCOP(=O)(OC)OCC(F)(F)F
InChIInChI=1S/C4H8F3O4P/c1-9-12(8,10-2)11-3-4(5,6)7/h3H2,1-2H3
InChIKeyODIPJXGRLMMPDM-UHFFFAOYSA-N
XLogP1.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 51.97
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

Bromodifluoromethyl diethylphosphonate
CID 144101
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
Iododifluoromethylphosphonic acid diethyl ester
CID 9972899
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Tetraethyl Difluoromethylenebisphosphonate
CID 11823499
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Diethylbeta,beta-difluorovinyl phosphate
CID 12652589
Diethyl trifluorovinylphosphonate
CID 14115299
Bis(2,2,2-trifluoroethyl)phosphoric acid
CID 4421775

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2,2-trifluoroethyl phosphate?
The IUPAC name of dimethyl 2,2,2-trifluoroethyl phosphate (CID 15466707) is dimethyl 2,2,2-trifluoroethyl phosphate.
What is the SMILES notation for dimethyl 2,2,2-trifluoroethyl phosphate?
The canonical SMILES for dimethyl 2,2,2-trifluoroethyl phosphate is COP(=O)(OC)OCC(F)(F)F.
What is the InChIKey of dimethyl 2,2,2-trifluoroethyl phosphate?
The InChIKey is ODIPJXGRLMMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3O4P/c1-9-12(8,10-2)11-3-4(5,6)7/h3H2,1-2H3.
What are the key properties of dimethyl 2,2,2-trifluoroethyl phosphate?
dimethyl 2,2,2-trifluoroethyl phosphate has a molecular weight of 208.07 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2,2-trifluoroethyl phosphate is sourced from PubChem (CID 15466707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).