triethyl(prop-2-enyl)azanium hexafluorophosphate

C9H20F6NP — CID 175350954

IUPACtriethyl(prop-2-enyl)azanium hexafluorophosphate
SMILESC=CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H20N.F6P/c1-5-9-10(6-2,7-3)8-4;1-7(2,3,4,5)6/h5H,1,6-9H2,2-4H3;/q+1;-1
InChIKeyBESDNIILIYYNGP-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.43
Rot. Bonds5

About triethyl(prop-2-enyl)azanium hexafluorophosphate

triethyl(prop-2-enyl)azanium hexafluorophosphate (PubChem CID 175350954) has the molecular formula C9H20F6NP and a molecular weight of 287.23 g/mol. Its IUPAC name is triethyl(prop-2-enyl)azanium hexafluorophosphate.

Molecular Properties

Compound Nametriethyl(prop-2-enyl)azanium hexafluorophosphate
PubChem CID175350954
Molecular FormulaC9H20F6NP
Molecular Weight287.23 g/mol
Exact Mass287.12
IUPAC Nametriethyl(prop-2-enyl)azanium hexafluorophosphate
SMILESC=CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H20N.F6P/c1-5-9-10(6-2,7-3)8-4;1-7(2,3,4,5)6/h5H,1,6-9H2,2-4H3;/q+1;-1
InChIKeyBESDNIILIYYNGP-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

prop-1-ene;triethyl(prop-2-enyl)azanium;bromide
CID 175521328
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
dihydrogen phosphate;triethyl(prop-2-enyl)azanium
CID 173387708
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
but-3-enoate;triethyl(prop-2-enyl)azanium
CID 174488923
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
[4-[[diethyl(prop-2-enyl)azaniumyl]methyl]phenyl]methyl-diethyl-prop-2-enylazanium bromide
CID 54610948
prop-1-ene;tetraethylazanium
CID 159504263
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919

Frequently Asked Questions

What is the IUPAC name of triethyl(prop-2-enyl)azanium hexafluorophosphate?
The IUPAC name of triethyl(prop-2-enyl)azanium hexafluorophosphate (CID 175350954) is triethyl(prop-2-enyl)azanium hexafluorophosphate.
What is the SMILES notation for triethyl(prop-2-enyl)azanium hexafluorophosphate?
The canonical SMILES for triethyl(prop-2-enyl)azanium hexafluorophosphate is C=CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of triethyl(prop-2-enyl)azanium hexafluorophosphate?
The InChIKey is BESDNIILIYYNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.F6P/c1-5-9-10(6-2,7-3)8-4;1-7(2,3,4,5)6/h5H,1,6-9H2,2-4H3;/q+1;-1.
What are the key properties of triethyl(prop-2-enyl)azanium hexafluorophosphate?
triethyl(prop-2-enyl)azanium hexafluorophosphate has a molecular weight of 287.23 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(prop-2-enyl)azanium hexafluorophosphate is sourced from PubChem (CID 175350954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).