1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane

C3H5F4O3P — CID 89236407

IUPAC1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane
SMILESCOP(=O)(F)OC(F)(F)CF
InChIInChI=1S/C3H5F4O3P/c1-9-11(7,8)10-3(5,6)2-4/h2H2,1H3
InChIKeyVMLAUYLGIRTDIY-UHFFFAOYSA-N
MW196.04 g/mol
LogP2.29
Rot. Bonds4

About 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane

1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane (PubChem CID 89236407) has the molecular formula C3H5F4O3P and a molecular weight of 196.04 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane
PubChem CID89236407
Molecular FormulaC3H5F4O3P
Molecular Weight196.04 g/mol
Exact Mass195.99
IUPAC Name1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane
SMILESCOP(=O)(F)OC(F)(F)CF
InChIInChI=1S/C3H5F4O3P/c1-9-11(7,8)10-3(5,6)2-4/h2H2,1H3
InChIKeyVMLAUYLGIRTDIY-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-trifluoroethyl 2-oxopropanoate
CID 87729928
methyl bis(trifluoromethyl) phosphate
CID 87128096
ethyl 2-[[2-aminoethyl(1,1,2-trifluoroethoxy)phosphoryl]amino]propanoate
CID 87871891
1,1,2-trifluoroethyl 2-fluoroacetate
CID 151748690
ethenyl-[fluoro(methoxy)phosphoryl]oxy-methylsilane
CID 174150401
trifluoro-[methoxy(methyl)phosphoryl]methane
CID 12886123
fluoro(methoxy)phosphinic acid
CID 23235630
[chloro(methoxy)phosphoryl]-fluoromethane
CID 86095983
methyl 1,1,2,2,2-pentafluoroethyl hydrogen phosphate;phosphoric acid
CID 159511101
methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509943
[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate
CID 102460896
2-[fluoro(methyl)phosphoryl]oxy-2-methylpropane
CID 567264

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane?
The IUPAC name of 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane (CID 89236407) is 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane?
The canonical SMILES for 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane is COP(=O)(F)OC(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane?
The InChIKey is VMLAUYLGIRTDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O3P/c1-9-11(7,8)10-3(5,6)2-4/h2H2,1H3.
What are the key properties of 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane?
1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane has a molecular weight of 196.04 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-[fluoro(methoxy)phosphoryl]oxyethane is sourced from PubChem (CID 89236407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).