bis(prop-2-enyl)azanium tetrafluoroborate

C6H12BF4N — CID 19002275

IUPACbis(prop-2-enyl)azanium tetrafluoroborate
SMILESC=CC[NH2+]CC=C.F[B-](F)(F)F
InChIInChI=1S/C6H11N.BF4/c1-3-5-7-6-4-2;2-1(3,4)5/h3-4,7H,1-2,5-6H2;/q;-1/p+1
InChIKeyXTTYJCNOOGDYFF-UHFFFAOYSA-O
MW184.97 g/mol
LogP1.22
Rot. Bonds4

About bis(prop-2-enyl)azanium tetrafluoroborate

bis(prop-2-enyl)azanium tetrafluoroborate (PubChem CID 19002275) has the molecular formula C6H12BF4N and a molecular weight of 184.97 g/mol. Its IUPAC name is bis(prop-2-enyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namebis(prop-2-enyl)azanium tetrafluoroborate
PubChem CID19002275
Molecular FormulaC6H12BF4N
Molecular Weight184.97 g/mol
Exact Mass185.10
IUPAC Namebis(prop-2-enyl)azanium tetrafluoroborate
SMILESC=CC[NH2+]CC=C.F[B-](F)(F)F
InChIInChI=1S/C6H11N.BF4/c1-3-5-7-6-4-2;2-1(3,4)5/h3-4,7H,1-2,5-6H2;/q;-1/p+1
InChIKeyXTTYJCNOOGDYFF-UHFFFAOYSA-O
XLogP1.22
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.97
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylazanium tetrafluoroborate
CID 87318754
[2-hydroxy-3-(prop-2-enylazaniumyl)propyl]-prop-2-enylazanium
CID 101175464
trifluoro(prop-2-enyl)boranuide
CID 10909718
pentyl(prop-2-enyl)azanium chloride
CID 87130564
tert-butylsulfanylmethyl(prop-2-enyl)azanium chloride
CID 86741048
potassium but-3-enyl(trifluoro)boranuide
CID 23666761
fluoro-tris(prop-2-enoxy)boranuide
CID 170534151
methyl(prop-2-enyl)azanium;prop-1-ene
CID 142088856
ethyl(prop-2-enyl)azanium;ethyl sulfate
CID 20536834
CID 173451818
CID 173451818
CID 173241572
CID 173241572
bis(but-3-enyl)azanium chloride
CID 87241762

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)azanium tetrafluoroborate?
The IUPAC name of bis(prop-2-enyl)azanium tetrafluoroborate (CID 19002275) is bis(prop-2-enyl)azanium tetrafluoroborate.
What is the SMILES notation for bis(prop-2-enyl)azanium tetrafluoroborate?
The canonical SMILES for bis(prop-2-enyl)azanium tetrafluoroborate is C=CC[NH2+]CC=C.F[B-](F)(F)F.
What is the InChIKey of bis(prop-2-enyl)azanium tetrafluoroborate?
The InChIKey is XTTYJCNOOGDYFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N.BF4/c1-3-5-7-6-4-2;2-1(3,4)5/h3-4,7H,1-2,5-6H2;/q;-1/p+1.
What are the key properties of bis(prop-2-enyl)azanium tetrafluoroborate?
bis(prop-2-enyl)azanium tetrafluoroborate has a molecular weight of 184.97 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)azanium tetrafluoroborate is sourced from PubChem (CID 19002275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).