trifluoro(prop-2-enyl)azanium

C3H5F3N+ — CID 175528891

IUPACtrifluoro(prop-2-enyl)azanium
SMILESC=CC[N+](F)(F)F
InChIInChI=1S/C3H5F3N/c1-2-3-7(4,5)6/h2H,1,3H2/q+1
InChIKeyWKKXATXMVGUVOP-UHFFFAOYSA-N
MW112.07 g/mol
LogP1.64
Rot. Bonds2

About trifluoro(prop-2-enyl)azanium

trifluoro(prop-2-enyl)azanium (PubChem CID 175528891) has the molecular formula C3H5F3N+ and a molecular weight of 112.07 g/mol. Its IUPAC name is trifluoro(prop-2-enyl)azanium.

Molecular Properties

Compound Nametrifluoro(prop-2-enyl)azanium
PubChem CID175528891
Molecular FormulaC3H5F3N+
Molecular Weight112.07 g/mol
Exact Mass112.04
IUPAC Nametrifluoro(prop-2-enyl)azanium
SMILESC=CC[N+](F)(F)F
InChIInChI=1S/C3H5F3N/c1-2-3-7(4,5)6/h2H,1,3H2/q+1
InChIKeyWKKXATXMVGUVOP-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.07
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)
CID 173137331
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
germanium(4+);bis(oxygen(2-));tetrakis(prop-2-enyl)azanium;hydroxide
CID 173450774
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
methyl-tris(prop-2-enyl)azanium iodide
CID 14172654
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046

Frequently Asked Questions

What is the IUPAC name of trifluoro(prop-2-enyl)azanium?
The IUPAC name of trifluoro(prop-2-enyl)azanium (CID 175528891) is trifluoro(prop-2-enyl)azanium.
What is the SMILES notation for trifluoro(prop-2-enyl)azanium?
The canonical SMILES for trifluoro(prop-2-enyl)azanium is C=CC[N+](F)(F)F.
What is the InChIKey of trifluoro(prop-2-enyl)azanium?
The InChIKey is WKKXATXMVGUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N/c1-2-3-7(4,5)6/h2H,1,3H2/q+1.
What are the key properties of trifluoro(prop-2-enyl)azanium?
trifluoro(prop-2-enyl)azanium has a molecular weight of 112.07 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(prop-2-enyl)azanium is sourced from PubChem (CID 175528891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).