2-fluoropropyl-hydroxy-oxophosphanium

C3H7FO2P+ — CID 86621840

IUPAC2-fluoropropyl-hydroxy-oxophosphanium
SMILESCC(F)C[P+](=O)O
InChIInChI=1S/C3H6FO2P/c1-3(4)2-7(5)6/h3H,2H2,1H3/p+1
InChIKeyOQMKDDJRUFQKJS-UHFFFAOYSA-O
MW125.06 g/mol
LogP1.08
Rot. Bonds2

About 2-fluoropropyl-hydroxy-oxophosphanium

2-fluoropropyl-hydroxy-oxophosphanium (PubChem CID 86621840) has the molecular formula C3H7FO2P+ and a molecular weight of 125.06 g/mol. Its IUPAC name is 2-fluoropropyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-fluoropropyl-hydroxy-oxophosphanium
PubChem CID86621840
Molecular FormulaC3H7FO2P+
Molecular Weight125.06 g/mol
Exact Mass125.02
IUPAC Name2-fluoropropyl-hydroxy-oxophosphanium
SMILESCC(F)C[P+](=O)O
InChIInChI=1S/C3H6FO2P/c1-3(4)2-7(5)6/h3H,2H2,1H3/p+1
InChIKeyOQMKDDJRUFQKJS-UHFFFAOYSA-O
XLogP1.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.06
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoropropyl-hydroxy-oxophosphanium?
The IUPAC name of 2-fluoropropyl-hydroxy-oxophosphanium (CID 86621840) is 2-fluoropropyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-fluoropropyl-hydroxy-oxophosphanium?
The canonical SMILES for 2-fluoropropyl-hydroxy-oxophosphanium is CC(F)C[P+](=O)O.
What is the InChIKey of 2-fluoropropyl-hydroxy-oxophosphanium?
The InChIKey is OQMKDDJRUFQKJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6FO2P/c1-3(4)2-7(5)6/h3H,2H2,1H3/p+1.
What are the key properties of 2-fluoropropyl-hydroxy-oxophosphanium?
2-fluoropropyl-hydroxy-oxophosphanium has a molecular weight of 125.06 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropyl-hydroxy-oxophosphanium is sourced from PubChem (CID 86621840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).