sodium 1-fluoropropyl-oxido-oxophosphanium

C3H6FNaO2P+ — CID 175084591

IUPACsodium 1-fluoropropyl-oxido-oxophosphanium
SMILESCCC(F)[P+](=O)[O-].[Na+]
InChIInChI=1S/C3H6FO2P.Na/c1-2-3(4)7(5)6;/h3H,2H2,1H3;/q;+1
InChIKeyUYJCXVJLCSXWCT-UHFFFAOYSA-N
MW147.04 g/mol
LogP-2.20
Rot. Bonds2

About sodium 1-fluoropropyl-oxido-oxophosphanium

sodium 1-fluoropropyl-oxido-oxophosphanium (PubChem CID 175084591) has the molecular formula C3H6FNaO2P+ and a molecular weight of 147.04 g/mol. Its IUPAC name is sodium 1-fluoropropyl-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium 1-fluoropropyl-oxido-oxophosphanium
PubChem CID175084591
Molecular FormulaC3H6FNaO2P+
Molecular Weight147.04 g/mol
Exact Mass147.00
IUPAC Namesodium 1-fluoropropyl-oxido-oxophosphanium
SMILESCCC(F)[P+](=O)[O-].[Na+]
InChIInChI=1S/C3H6FO2P.Na/c1-2-3(4)7(5)6;/h3H,2H2,1H3;/q;+1
InChIKeyUYJCXVJLCSXWCT-UHFFFAOYSA-N
XLogP-2.20
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.04
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1-fluoropropyl-oxido-oxophosphanium?
The IUPAC name of sodium 1-fluoropropyl-oxido-oxophosphanium (CID 175084591) is sodium 1-fluoropropyl-oxido-oxophosphanium.
What is the SMILES notation for sodium 1-fluoropropyl-oxido-oxophosphanium?
The canonical SMILES for sodium 1-fluoropropyl-oxido-oxophosphanium is CCC(F)[P+](=O)[O-].[Na+].
What is the InChIKey of sodium 1-fluoropropyl-oxido-oxophosphanium?
The InChIKey is UYJCXVJLCSXWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FO2P.Na/c1-2-3(4)7(5)6;/h3H,2H2,1H3;/q;+1.
What are the key properties of sodium 1-fluoropropyl-oxido-oxophosphanium?
sodium 1-fluoropropyl-oxido-oxophosphanium has a molecular weight of 147.04 g/mol, XLogP of -2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-fluoropropyl-oxido-oxophosphanium is sourced from PubChem (CID 175084591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).