3-fluoropropoxy-methyl-oxophosphanium

C4H9FO2P+ — CID 54384474

IUPAC3-fluoropropoxy-methyl-oxophosphanium
SMILESC[P+](=O)OCCCF
InChIInChI=1S/C4H9FO2P/c1-8(6)7-4-2-3-5/h2-4H2,1H3/q+1
InChIKeyOQTKEWDLLPBEQZ-UHFFFAOYSA-N
MW139.09 g/mol
LogP1.73
Rot. Bonds4

About 3-fluoropropoxy-methyl-oxophosphanium

3-fluoropropoxy-methyl-oxophosphanium (PubChem CID 54384474) has the molecular formula C4H9FO2P+ and a molecular weight of 139.09 g/mol. Its IUPAC name is 3-fluoropropoxy-methyl-oxophosphanium.

Molecular Properties

Compound Name3-fluoropropoxy-methyl-oxophosphanium
PubChem CID54384474
Molecular FormulaC4H9FO2P+
Molecular Weight139.09 g/mol
Exact Mass139.03
IUPAC Name3-fluoropropoxy-methyl-oxophosphanium
SMILESC[P+](=O)OCCCF
InChIInChI=1S/C4H9FO2P/c1-8(6)7-4-2-3-5/h2-4H2,1H3/q+1
InChIKeyOQTKEWDLLPBEQZ-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropropoxy-methyl-oxophosphanium?
The IUPAC name of 3-fluoropropoxy-methyl-oxophosphanium (CID 54384474) is 3-fluoropropoxy-methyl-oxophosphanium.
What is the SMILES notation for 3-fluoropropoxy-methyl-oxophosphanium?
The canonical SMILES for 3-fluoropropoxy-methyl-oxophosphanium is C[P+](=O)OCCCF.
What is the InChIKey of 3-fluoropropoxy-methyl-oxophosphanium?
The InChIKey is OQTKEWDLLPBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2P/c1-8(6)7-4-2-3-5/h2-4H2,1H3/q+1.
What are the key properties of 3-fluoropropoxy-methyl-oxophosphanium?
3-fluoropropoxy-methyl-oxophosphanium has a molecular weight of 139.09 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropoxy-methyl-oxophosphanium is sourced from PubChem (CID 54384474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).