1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone

C6H7F6O4P — CID 87531863

IUPAC1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone
SMILESCC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O4P/c1-4(13)17(14,15-2-5(7,8)9)16-3-6(10,11)12/h2-3H2,1H3
InChIKeyVAXPTSKZMUEZLT-UHFFFAOYSA-N
MW288.08 g/mol
LogP2.88
Rot. Bonds5

About 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone

1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone (PubChem CID 87531863) has the molecular formula C6H7F6O4P and a molecular weight of 288.08 g/mol. Its IUPAC name is 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone
PubChem CID87531863
Molecular FormulaC6H7F6O4P
Molecular Weight288.08 g/mol
Exact Mass288.00
IUPAC Name1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone
SMILESCC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O4P/c1-4(13)17(14,15-2-5(7,8)9)16-3-6(10,11)12/h2-3H2,1H3
InChIKeyVAXPTSKZMUEZLT-UHFFFAOYSA-N
XLogP2.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 52.88
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

Tris(2,2,2-Trifluoroethyl) phosphate
CID 303454
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
1-Dimethoxyphosphoryl-2,2,2-trifluoroethanone
CID 13026282
1-Diethoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179229
1-Diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 10444192
Diethyl (pentafluoroethyl)phosphonate
CID 71339599
1-Dipropoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179230
Bis(2,2,2-trifluoroethyl)ethylphosphate
CID 13368239
1,1,1,2,2-Pentafluoro-3-[methyl(2,2,3,3,3-pentafluoropropoxy)phosphoryl]oxypropane
CID 15506966
Phosphoric acid methylbis(2,2,2-trifluoroethyl) ester
CID 15531203
Methyl bis(2,2,3,3,3-pentafluoropropyl) phosphate
CID 15531204
1-[Bis(trifluoromethyl)phosphoryloxy]ethane
CID 21732938

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone?
The IUPAC name of 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone (CID 87531863) is 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone.
What is the SMILES notation for 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone?
The canonical SMILES for 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone is CC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone?
The InChIKey is VAXPTSKZMUEZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O4P/c1-4(13)17(14,15-2-5(7,8)9)16-3-6(10,11)12/h2-3H2,1H3.
What are the key properties of 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone?
1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone has a molecular weight of 288.08 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone is sourced from PubChem (CID 87531863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).