1-dimethoxyphosphoryl-1,1-difluoropropan-2-one

C5H9F2O4P — CID 18368927

IUPAC1-dimethoxyphosphoryl-1,1-difluoropropan-2-one
SMILESCOP(=O)(OC)C(F)(F)C(C)=O
InChIInChI=1S/C5H9F2O4P/c1-4(8)5(6,7)12(9,10-2)11-3/h1-3H3
InChIKeyNTLWSLFWGLNXDT-UHFFFAOYSA-N
MW202.09 g/mol
LogP1.65
Rot. Bonds4

About 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one

1-dimethoxyphosphoryl-1,1-difluoropropan-2-one (PubChem CID 18368927) has the molecular formula C5H9F2O4P and a molecular weight of 202.09 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1,1-difluoropropan-2-one
PubChem CID18368927
Molecular FormulaC5H9F2O4P
Molecular Weight202.09 g/mol
Exact Mass202.02
IUPAC Name1-dimethoxyphosphoryl-1,1-difluoropropan-2-one
SMILESCOP(=O)(OC)C(F)(F)C(C)=O
InChIInChI=1S/C5H9F2O4P/c1-4(8)5(6,7)12(9,10-2)11-3/h1-3H3
InChIKeyNTLWSLFWGLNXDT-UHFFFAOYSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 51.65
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-1,1-difluoropropan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one (CID 18368927) is 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one is COP(=O)(OC)C(F)(F)C(C)=O.
What is the InChIKey of 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one?
The InChIKey is NTLWSLFWGLNXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2O4P/c1-4(8)5(6,7)12(9,10-2)11-3/h1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one?
1-dimethoxyphosphoryl-1,1-difluoropropan-2-one has a molecular weight of 202.09 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1,1-difluoropropan-2-one is sourced from PubChem (CID 18368927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).