2-(2-fluoro-2-methylpropyl)-1-methylaziridine

C7H14FN — CID 143474478

IUPAC2-(2-fluoro-2-methylpropyl)-1-methylaziridine
SMILESCN1CC1CC(C)(C)F
InChIInChI=1S/C7H14FN/c1-7(2,8)4-6-5-9(6)3/h6H,4-5H2,1-3H3
InChIKeyUCWVBKXUEHKEDD-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.44
Rot. Bonds2

About 2-(2-fluoro-2-methylpropyl)-1-methylaziridine

2-(2-fluoro-2-methylpropyl)-1-methylaziridine (PubChem CID 143474478) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylpropyl)-1-methylaziridine.

Molecular Properties

Compound Name2-(2-fluoro-2-methylpropyl)-1-methylaziridine
PubChem CID143474478
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name2-(2-fluoro-2-methylpropyl)-1-methylaziridine
SMILESCN1CC1CC(C)(C)F
InChIInChI=1S/C7H14FN/c1-7(2,8)4-6-5-9(6)3/h6H,4-5H2,1-3H3
InChIKeyUCWVBKXUEHKEDD-UHFFFAOYSA-N
XLogP1.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylpropyl)-1-methylaziridine?
The IUPAC name of 2-(2-fluoro-2-methylpropyl)-1-methylaziridine (CID 143474478) is 2-(2-fluoro-2-methylpropyl)-1-methylaziridine.
What is the SMILES notation for 2-(2-fluoro-2-methylpropyl)-1-methylaziridine?
The canonical SMILES for 2-(2-fluoro-2-methylpropyl)-1-methylaziridine is CN1CC1CC(C)(C)F.
What is the InChIKey of 2-(2-fluoro-2-methylpropyl)-1-methylaziridine?
The InChIKey is UCWVBKXUEHKEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-7(2,8)4-6-5-9(6)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2-fluoro-2-methylpropyl)-1-methylaziridine?
2-(2-fluoro-2-methylpropyl)-1-methylaziridine has a molecular weight of 131.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methylpropyl)-1-methylaziridine is sourced from PubChem (CID 143474478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).