1-dimethoxyphosphoryl-2,2,2-trifluoroethanone

C4H6F3O4P — CID 13026282

IUPAC1-dimethoxyphosphoryl-2,2,2-trifluoroethanone
SMILESCOP(=O)(OC)C(=O)C(F)(F)F
InChIInChI=1S/C4H6F3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h1-2H3
InChIKeyUNGBOSQSBHHZTH-UHFFFAOYSA-N
MW206.06 g/mol
LogP1.56
Rot. Bonds3

About 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone

1-dimethoxyphosphoryl-2,2,2-trifluoroethanone (PubChem CID 13026282) has the molecular formula C4H6F3O4P and a molecular weight of 206.06 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2,2,2-trifluoroethanone
PubChem CID13026282
Molecular FormulaC4H6F3O4P
Molecular Weight206.06 g/mol
Exact Mass206.00
IUPAC Name1-dimethoxyphosphoryl-2,2,2-trifluoroethanone
SMILESCOP(=O)(OC)C(=O)C(F)(F)F
InChIInChI=1S/C4H6F3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h1-2H3
InChIKeyUNGBOSQSBHHZTH-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone?
The IUPAC name of 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone (CID 13026282) is 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone?
The canonical SMILES for 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone is COP(=O)(OC)C(=O)C(F)(F)F.
What is the InChIKey of 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone?
The InChIKey is UNGBOSQSBHHZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone?
1-dimethoxyphosphoryl-2,2,2-trifluoroethanone has a molecular weight of 206.06 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2,2,2-trifluoroethanone is sourced from PubChem (CID 13026282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).