(2-fluoro-3-hydroxypropyl) dimethyl phosphate

C5H12FO5P — CID 23236859

IUPAC(2-fluoro-3-hydroxypropyl) dimethyl phosphate
SMILESCOP(=O)(OC)OCC(F)CO
InChIInChI=1S/C5H12FO5P/c1-9-12(8,10-2)11-4-5(6)3-7/h5,7H,3-4H2,1-2H3
InChIKeyOVOALNICHSEMFS-UHFFFAOYSA-N
MW202.12 g/mol
LogP0.73
Rot. Bonds6

About (2-fluoro-3-hydroxypropyl) dimethyl phosphate

(2-fluoro-3-hydroxypropyl) dimethyl phosphate (PubChem CID 23236859) has the molecular formula C5H12FO5P and a molecular weight of 202.12 g/mol. Its IUPAC name is (2-fluoro-3-hydroxypropyl) dimethyl phosphate.

Molecular Properties

Compound Name(2-fluoro-3-hydroxypropyl) dimethyl phosphate
PubChem CID23236859
Molecular FormulaC5H12FO5P
Molecular Weight202.12 g/mol
Exact Mass202.04
IUPAC Name(2-fluoro-3-hydroxypropyl) dimethyl phosphate
SMILESCOP(=O)(OC)OCC(F)CO
InChIInChI=1S/C5H12FO5P/c1-9-12(8,10-2)11-4-5(6)3-7/h5,7H,3-4H2,1-2H3
InChIKeyOVOALNICHSEMFS-UHFFFAOYSA-N
XLogP0.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-hydroxypropyl) dimethyl phosphate?
The IUPAC name of (2-fluoro-3-hydroxypropyl) dimethyl phosphate (CID 23236859) is (2-fluoro-3-hydroxypropyl) dimethyl phosphate.
What is the SMILES notation for (2-fluoro-3-hydroxypropyl) dimethyl phosphate?
The canonical SMILES for (2-fluoro-3-hydroxypropyl) dimethyl phosphate is COP(=O)(OC)OCC(F)CO.
What is the InChIKey of (2-fluoro-3-hydroxypropyl) dimethyl phosphate?
The InChIKey is OVOALNICHSEMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO5P/c1-9-12(8,10-2)11-4-5(6)3-7/h5,7H,3-4H2,1-2H3.
What are the key properties of (2-fluoro-3-hydroxypropyl) dimethyl phosphate?
(2-fluoro-3-hydroxypropyl) dimethyl phosphate has a molecular weight of 202.12 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-hydroxypropyl) dimethyl phosphate is sourced from PubChem (CID 23236859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).