(1-fluoro-2-oxopropyl) dimethyl phosphite

C5H10FO4P — CID 100924706

IUPAC(1-fluoro-2-oxopropyl) dimethyl phosphite
SMILESCOP(OC)OC(F)C(C)=O
InChIInChI=1S/C5H10FO4P/c1-4(7)5(6)10-11(8-2)9-3/h5H,1-3H3
InChIKeyCUVBPWCNPFYZJY-UHFFFAOYSA-N
MW184.10 g/mol
LogP1.41
Rot. Bonds5

About (1-fluoro-2-oxopropyl) dimethyl phosphite

(1-fluoro-2-oxopropyl) dimethyl phosphite (PubChem CID 100924706) has the molecular formula C5H10FO4P and a molecular weight of 184.10 g/mol. Its IUPAC name is (1-fluoro-2-oxopropyl) dimethyl phosphite.

Molecular Properties

Compound Name(1-fluoro-2-oxopropyl) dimethyl phosphite
PubChem CID100924706
Molecular FormulaC5H10FO4P
Molecular Weight184.10 g/mol
Exact Mass184.03
IUPAC Name(1-fluoro-2-oxopropyl) dimethyl phosphite
SMILESCOP(OC)OC(F)C(C)=O
InChIInChI=1S/C5H10FO4P/c1-4(7)5(6)10-11(8-2)9-3/h5H,1-3H3
InChIKeyCUVBPWCNPFYZJY-UHFFFAOYSA-N
XLogP1.41
TPSA44.76 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 ≤ 51.41
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-fluoro-2-oxopropyl) dimethyl phosphite?
The IUPAC name of (1-fluoro-2-oxopropyl) dimethyl phosphite (CID 100924706) is (1-fluoro-2-oxopropyl) dimethyl phosphite.
What is the SMILES notation for (1-fluoro-2-oxopropyl) dimethyl phosphite?
The canonical SMILES for (1-fluoro-2-oxopropyl) dimethyl phosphite is COP(OC)OC(F)C(C)=O.
What is the InChIKey of (1-fluoro-2-oxopropyl) dimethyl phosphite?
The InChIKey is CUVBPWCNPFYZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO4P/c1-4(7)5(6)10-11(8-2)9-3/h5H,1-3H3.
What are the key properties of (1-fluoro-2-oxopropyl) dimethyl phosphite?
(1-fluoro-2-oxopropyl) dimethyl phosphite has a molecular weight of 184.10 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-oxopropyl) dimethyl phosphite is sourced from PubChem (CID 100924706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).