1-dimethoxyphosphoryl-3-fluoropropan-2-one

C5H10FO4P — CID 87920225

IUPAC1-dimethoxyphosphoryl-3-fluoropropan-2-one
SMILESCOP(=O)(CC(=O)CF)OC
InChIInChI=1S/C5H10FO4P/c1-9-11(8,10-2)4-5(7)3-6/h3-4H2,1-2H3
InChIKeyFAQBMVLKQQJRHP-UHFFFAOYSA-N
MW184.10 g/mol
LogP1.01
Rot. Bonds5

About 1-dimethoxyphosphoryl-3-fluoropropan-2-one

1-dimethoxyphosphoryl-3-fluoropropan-2-one (PubChem CID 87920225) has the molecular formula C5H10FO4P and a molecular weight of 184.10 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3-fluoropropan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3-fluoropropan-2-one
PubChem CID87920225
Molecular FormulaC5H10FO4P
Molecular Weight184.10 g/mol
Exact Mass184.03
IUPAC Name1-dimethoxyphosphoryl-3-fluoropropan-2-one
SMILESCOP(=O)(CC(=O)CF)OC
InChIInChI=1S/C5H10FO4P/c1-9-11(8,10-2)4-5(7)3-6/h3-4H2,1-2H3
InChIKeyFAQBMVLKQQJRHP-UHFFFAOYSA-N
XLogP1.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 51.01
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-3-fluoropropan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-3-fluoropropan-2-one (CID 87920225) is 1-dimethoxyphosphoryl-3-fluoropropan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-3-fluoropropan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-3-fluoropropan-2-one is COP(=O)(CC(=O)CF)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3-fluoropropan-2-one?
The InChIKey is FAQBMVLKQQJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO4P/c1-9-11(8,10-2)4-5(7)3-6/h3-4H2,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-3-fluoropropan-2-one?
1-dimethoxyphosphoryl-3-fluoropropan-2-one has a molecular weight of 184.10 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3-fluoropropan-2-one is sourced from PubChem (CID 87920225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).