2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

C6H8F2O5P+ — CID 130463833

IUPAC2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESCC(F)(F)CO[P+](=O)C1COC(=O)O1
InChIInChI=1S/C6H8F2O5P/c1-6(7,8)3-12-14(10)4-2-11-5(9)13-4/h4H,2-3H2,1H3/q+1
InChIKeyYAFORFDJMMRMMM-UHFFFAOYSA-N
MW229.09 g/mol
LogP1.89
Rot. Bonds4

About 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (PubChem CID 130463833) has the molecular formula C6H8F2O5P+ and a molecular weight of 229.09 g/mol. Its IUPAC name is 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.

Molecular Properties

Compound Name2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
PubChem CID130463833
Molecular FormulaC6H8F2O5P+
Molecular Weight229.09 g/mol
Exact Mass229.01
IUPAC Name2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESCC(F)(F)CO[P+](=O)C1COC(=O)O1
InChIInChI=1S/C6H8F2O5P/c1-6(7,8)3-12-14(10)4-2-11-5(9)13-4/h4H,2-3H2,1H3/q+1
InChIKeyYAFORFDJMMRMMM-UHFFFAOYSA-N
XLogP1.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 51.89
H-Bond Donors ≤ 50
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 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The IUPAC name of 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (CID 130463833) is 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.
What is the SMILES notation for 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The canonical SMILES for 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is CC(F)(F)CO[P+](=O)C1COC(=O)O1.
What is the InChIKey of 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The InChIKey is YAFORFDJMMRMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O5P/c1-6(7,8)3-12-14(10)4-2-11-5(9)13-4/h4H,2-3H2,1H3/q+1.
What are the key properties of 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium has a molecular weight of 229.09 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropoxy-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is sourced from PubChem (CID 130463833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).