but-3-enyl-fluoro-dipropylazanium

C10H21FN+ — CID 123194586

IUPACbut-3-enyl-fluoro-dipropylazanium
SMILESC=CCC[N+](F)(CCC)CCC
InChIInChI=1S/C10H21FN/c1-4-7-10-12(11,8-5-2)9-6-3/h4H,1,5-10H2,2-3H3/q+1
InChIKeyNXEJEMQVPXQXJC-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.08
Rot. Bonds7

About but-3-enyl-fluoro-dipropylazanium

but-3-enyl-fluoro-dipropylazanium (PubChem CID 123194586) has the molecular formula C10H21FN+ and a molecular weight of 174.28 g/mol. Its IUPAC name is but-3-enyl-fluoro-dipropylazanium.

Molecular Properties

Compound Namebut-3-enyl-fluoro-dipropylazanium
PubChem CID123194586
Molecular FormulaC10H21FN+
Molecular Weight174.28 g/mol
Exact Mass174.17
IUPAC Namebut-3-enyl-fluoro-dipropylazanium
SMILESC=CCC[N+](F)(CCC)CCC
InChIInChI=1S/C10H21FN/c1-4-7-10-12(11,8-5-2)9-6-3/h4H,1,5-10H2,2-3H3/q+1
InChIKeyNXEJEMQVPXQXJC-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-fluoro-dipropylazanium?
The IUPAC name of but-3-enyl-fluoro-dipropylazanium (CID 123194586) is but-3-enyl-fluoro-dipropylazanium.
What is the SMILES notation for but-3-enyl-fluoro-dipropylazanium?
The canonical SMILES for but-3-enyl-fluoro-dipropylazanium is C=CCC[N+](F)(CCC)CCC.
What is the InChIKey of but-3-enyl-fluoro-dipropylazanium?
The InChIKey is NXEJEMQVPXQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN/c1-4-7-10-12(11,8-5-2)9-6-3/h4H,1,5-10H2,2-3H3/q+1.
What are the key properties of but-3-enyl-fluoro-dipropylazanium?
but-3-enyl-fluoro-dipropylazanium has a molecular weight of 174.28 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-fluoro-dipropylazanium is sourced from PubChem (CID 123194586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).