3-fluoro-3-(2-methylprop-1-enyl)azetidine

C7H12FN — CID 112563389

IUPAC3-fluoro-3-(2-methylprop-1-enyl)azetidine
SMILESCC(C)=CC1(F)CNC1
InChIInChI=1S/C7H12FN/c1-6(2)3-7(8)4-9-5-7/h3,9H,4-5H2,1-2H3
InChIKeyPLXLFQQPFINNGA-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds1

About 3-fluoro-3-(2-methylprop-1-enyl)azetidine

3-fluoro-3-(2-methylprop-1-enyl)azetidine (PubChem CID 112563389) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylprop-1-enyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylprop-1-enyl)azetidine
PubChem CID112563389
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-3-(2-methylprop-1-enyl)azetidine
SMILESCC(C)=CC1(F)CNC1
InChIInChI=1S/C7H12FN/c1-6(2)3-7(8)4-9-5-7/h3,9H,4-5H2,1-2H3
InChIKeyPLXLFQQPFINNGA-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylprop-1-enyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-methylprop-1-enyl)azetidine (CID 112563389) is 3-fluoro-3-(2-methylprop-1-enyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-methylprop-1-enyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-methylprop-1-enyl)azetidine is CC(C)=CC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(2-methylprop-1-enyl)azetidine?
The InChIKey is PLXLFQQPFINNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(2)3-7(8)4-9-5-7/h3,9H,4-5H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylprop-1-enyl)azetidine?
3-fluoro-3-(2-methylprop-1-enyl)azetidine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylprop-1-enyl)azetidine is sourced from PubChem (CID 112563389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).