1-dimethoxyphosphoryl-1-fluoropropan-2-one

C5H10FO4P — CID 18368933

IUPAC1-dimethoxyphosphoryl-1-fluoropropan-2-one
SMILESCOP(=O)(OC)C(F)C(C)=O
InChIInChI=1S/C5H10FO4P/c1-4(7)5(6)11(8,9-2)10-3/h5H,1-3H3
InChIKeyQYMBFPOKDQNCLW-UHFFFAOYSA-N
MW184.10 g/mol
LogP1.36
Rot. Bonds4

About 1-dimethoxyphosphoryl-1-fluoropropan-2-one

1-dimethoxyphosphoryl-1-fluoropropan-2-one (PubChem CID 18368933) has the molecular formula C5H10FO4P and a molecular weight of 184.10 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1-fluoropropan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1-fluoropropan-2-one
PubChem CID18368933
Molecular FormulaC5H10FO4P
Molecular Weight184.10 g/mol
Exact Mass184.03
IUPAC Name1-dimethoxyphosphoryl-1-fluoropropan-2-one
SMILESCOP(=O)(OC)C(F)C(C)=O
InChIInChI=1S/C5H10FO4P/c1-4(7)5(6)11(8,9-2)10-3/h5H,1-3H3
InChIKeyQYMBFPOKDQNCLW-UHFFFAOYSA-N
XLogP1.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 51.36
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-fluoropropan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-1-fluoropropan-2-one (CID 18368933) is 1-dimethoxyphosphoryl-1-fluoropropan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-1-fluoropropan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-1-fluoropropan-2-one is COP(=O)(OC)C(F)C(C)=O.
What is the InChIKey of 1-dimethoxyphosphoryl-1-fluoropropan-2-one?
The InChIKey is QYMBFPOKDQNCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO4P/c1-4(7)5(6)11(8,9-2)10-3/h5H,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-1-fluoropropan-2-one?
1-dimethoxyphosphoryl-1-fluoropropan-2-one has a molecular weight of 184.10 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1-fluoropropan-2-one is sourced from PubChem (CID 18368933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).