[cyano(fluoro)methyl]-methoxy-oxophosphanium

C3H4FNO2P+ — CID 130464288

IUPAC[cyano(fluoro)methyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)C(F)C#N
InChIInChI=1S/C3H4FNO2P/c1-7-8(6)3(4)2-5/h3H,1H3/q+1
InChIKeyRGGHQZOTYAZDDY-UHFFFAOYSA-N
MW136.04 g/mol
LogP1.19
Rot. Bonds2

About [cyano(fluoro)methyl]-methoxy-oxophosphanium

[cyano(fluoro)methyl]-methoxy-oxophosphanium (PubChem CID 130464288) has the molecular formula C3H4FNO2P+ and a molecular weight of 136.04 g/mol. Its IUPAC name is [cyano(fluoro)methyl]-methoxy-oxophosphanium.

Molecular Properties

Compound Name[cyano(fluoro)methyl]-methoxy-oxophosphanium
PubChem CID130464288
Molecular FormulaC3H4FNO2P+
Molecular Weight136.04 g/mol
Exact Mass136.00
IUPAC Name[cyano(fluoro)methyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)C(F)C#N
InChIInChI=1S/C3H4FNO2P/c1-7-8(6)3(4)2-5/h3H,1H3/q+1
InChIKeyRGGHQZOTYAZDDY-UHFFFAOYSA-N
XLogP1.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.04
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[dimethoxyphosphoryl(fluoro)methyl]-methoxy-oxophosphanium
CID 130464175
3,3,3-trifluoro-2-methoxypropanenitrile
CID 175610097
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
aluminum tris(methoxy-oxido-oxophosphanium)
CID 160728321
1-cyanopropyl-ethoxy-oxophosphanium
CID 130464298
bis(difluoromethoxy)-oxophosphanium
CID 21265767
bis[chloro(cyano)methoxy]-oxophosphanium
CID 87671692
(cyanomethylamino)oxy-methoxy-oxophosphanium
CID 57045318
2-methoxy-3-oxopropanenitrile
CID 173463355
methyl 2,2-dicyanoacetate
CID 10931428
[acetyloxy(cyano)methyl]-oxo-propan-2-yloxyphosphanium
CID 130464311
2,5-difluorohex-3-ynedinitrile
CID 142714209

Frequently Asked Questions

What is the IUPAC name of [cyano(fluoro)methyl]-methoxy-oxophosphanium?
The IUPAC name of [cyano(fluoro)methyl]-methoxy-oxophosphanium (CID 130464288) is [cyano(fluoro)methyl]-methoxy-oxophosphanium.
What is the SMILES notation for [cyano(fluoro)methyl]-methoxy-oxophosphanium?
The canonical SMILES for [cyano(fluoro)methyl]-methoxy-oxophosphanium is CO[P+](=O)C(F)C#N.
What is the InChIKey of [cyano(fluoro)methyl]-methoxy-oxophosphanium?
The InChIKey is RGGHQZOTYAZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FNO2P/c1-7-8(6)3(4)2-5/h3H,1H3/q+1.
What are the key properties of [cyano(fluoro)methyl]-methoxy-oxophosphanium?
[cyano(fluoro)methyl]-methoxy-oxophosphanium has a molecular weight of 136.04 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(fluoro)methyl]-methoxy-oxophosphanium is sourced from PubChem (CID 130464288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).