cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium

C8H15FN+ — CID 138514120

IUPACcyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium
SMILESC[N+](C)(C/C=C/F)C1CC1
InChIInChI=1S/C8H15FN/c1-10(2,7-3-6-9)8-4-5-8/h3,6,8H,4-5,7H2,1-2H3/q+1/b6-3+
InChIKeyTZIMJKBYKBKOLL-ZZXKWVIFSA-N
MW144.21 g/mol
LogP1.71
Rot. Bonds3

About cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium

cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium (PubChem CID 138514120) has the molecular formula C8H15FN+ and a molecular weight of 144.21 g/mol. Its IUPAC name is cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium.

Molecular Properties

Compound Namecyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium
PubChem CID138514120
Molecular FormulaC8H15FN+
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namecyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium
SMILESC[N+](C)(C/C=C/F)C1CC1
InChIInChI=1S/C8H15FN/c1-10(2,7-3-6-9)8-4-5-8/h3,6,8H,4-5,7H2,1-2H3/q+1/b6-3+
InChIKeyTZIMJKBYKBKOLL-ZZXKWVIFSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium?
The IUPAC name of cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium (CID 138514120) is cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium.
What is the SMILES notation for cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium?
The canonical SMILES for cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium is C[N+](C)(C/C=C/F)C1CC1.
What is the InChIKey of cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium?
The InChIKey is TZIMJKBYKBKOLL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H15FN/c1-10(2,7-3-6-9)8-4-5-8/h3,6,8H,4-5,7H2,1-2H3/q+1/b6-3+.
What are the key properties of cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium?
cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium has a molecular weight of 144.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium is sourced from PubChem (CID 138514120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).