prop-2-enylazanium tetrafluoroborate

C3H8BF4N — CID 87318754

IUPACprop-2-enylazanium tetrafluoroborate
SMILESC=CC[NH3+].F[B-](F)(F)F
InChIInChI=1S/C3H7N.BF4/c1-2-3-4;2-1(3,4)5/h2H,1,3-4H2;/q;-1/p+1
InChIKeyHAEDNXMWICFHLM-UHFFFAOYSA-O
MW144.91 g/mol
LogP0.71
Rot. Bonds1

About prop-2-enylazanium tetrafluoroborate

prop-2-enylazanium tetrafluoroborate (PubChem CID 87318754) has the molecular formula C3H8BF4N and a molecular weight of 144.91 g/mol. Its IUPAC name is prop-2-enylazanium tetrafluoroborate.

Molecular Properties

Compound Nameprop-2-enylazanium tetrafluoroborate
PubChem CID87318754
Molecular FormulaC3H8BF4N
Molecular Weight144.91 g/mol
Exact Mass145.07
IUPAC Nameprop-2-enylazanium tetrafluoroborate
SMILESC=CC[NH3+].F[B-](F)(F)F
InChIInChI=1S/C3H7N.BF4/c1-2-3-4;2-1(3,4)5/h2H,1,3-4H2;/q;-1/p+1
InChIKeyHAEDNXMWICFHLM-UHFFFAOYSA-O
XLogP0.71
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.91
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl)azanium tetrafluoroborate
CID 19002275
prop-2-enylazanium;tetrakis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)boranuide
CID 174060481
trifluoro(prop-2-enyl)boranuide
CID 10909718
potassium but-3-enyl(trifluoro)boranuide
CID 23666761
fluoro-tris(prop-2-enoxy)boranuide
CID 170534151
but-3-enylazanium
CID 6992082
but-3-enylazanium iodide
CID 130297634
prop-2-enyl-λ2-stannane;zinc
CID 174873416
potassium trifluoro-[(prop-2-enylamino)methyl]boranuide
CID 55280003
Allyldiethylsilane
CID 22992661
methane tetrafluoroborate
CID 160861622
iridium(3+) tritetrafluoroborate
CID 18673244

Frequently Asked Questions

What is the IUPAC name of prop-2-enylazanium tetrafluoroborate?
The IUPAC name of prop-2-enylazanium tetrafluoroborate (CID 87318754) is prop-2-enylazanium tetrafluoroborate.
What is the SMILES notation for prop-2-enylazanium tetrafluoroborate?
The canonical SMILES for prop-2-enylazanium tetrafluoroborate is C=CC[NH3+].F[B-](F)(F)F.
What is the InChIKey of prop-2-enylazanium tetrafluoroborate?
The InChIKey is HAEDNXMWICFHLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7N.BF4/c1-2-3-4;2-1(3,4)5/h2H,1,3-4H2;/q;-1/p+1.
What are the key properties of prop-2-enylazanium tetrafluoroborate?
prop-2-enylazanium tetrafluoroborate has a molecular weight of 144.91 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylazanium tetrafluoroborate is sourced from PubChem (CID 87318754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).