2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium

C2H5FO3P+ — CID 175395071

IUPAC2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(F)OCCO1
InChIInChI=1S/C2H5FO3P/c3-7(4)5-1-2-6-7/h4H,1-2H2/q+1
InChIKeyFOADXECMESOZHK-UHFFFAOYSA-N
MW127.03 g/mol
LogP0.67
Rot. Bonds

About 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium

2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium (PubChem CID 175395071) has the molecular formula C2H5FO3P+ and a molecular weight of 127.03 g/mol. Its IUPAC name is 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium.

Molecular Properties

Compound Name2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium
PubChem CID175395071
Molecular FormulaC2H5FO3P+
Molecular Weight127.03 g/mol
Exact Mass127.00
IUPAC Name2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(F)OCCO1
InChIInChI=1S/C2H5FO3P/c3-7(4)5-1-2-6-7/h4H,1-2H2/q+1
InChIKeyFOADXECMESOZHK-UHFFFAOYSA-N
XLogP0.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.03
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The IUPAC name of 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium (CID 175395071) is 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium.
What is the SMILES notation for 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The canonical SMILES for 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium is O[P+]1(F)OCCO1.
What is the InChIKey of 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The InChIKey is FOADXECMESOZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FO3P/c3-7(4)5-1-2-6-7/h4H,1-2H2/q+1.
What are the key properties of 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium has a molecular weight of 127.03 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium is sourced from PubChem (CID 175395071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).