1-but-2-enyl-3-fluoroazetidine

C7H12FN — CID 175815484

IUPAC1-but-2-enyl-3-fluoroazetidine
SMILESCC=CCN1CC(F)C1
InChIInChI=1S/C7H12FN/c1-2-3-4-9-5-7(8)6-9/h2-3,7H,4-6H2,1H3
InChIKeyHZHXWSMHZJTERI-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds2

About 1-but-2-enyl-3-fluoroazetidine

1-but-2-enyl-3-fluoroazetidine (PubChem CID 175815484) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-but-2-enyl-3-fluoroazetidine.

Molecular Properties

Compound Name1-but-2-enyl-3-fluoroazetidine
PubChem CID175815484
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-but-2-enyl-3-fluoroazetidine
SMILESCC=CCN1CC(F)C1
InChIInChI=1S/C7H12FN/c1-2-3-4-9-5-7(8)6-9/h2-3,7H,4-6H2,1H3
InChIKeyHZHXWSMHZJTERI-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
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 1-but-2-enyl-3-fluoroazetidine?
The IUPAC name of 1-but-2-enyl-3-fluoroazetidine (CID 175815484) is 1-but-2-enyl-3-fluoroazetidine.
What is the SMILES notation for 1-but-2-enyl-3-fluoroazetidine?
The canonical SMILES for 1-but-2-enyl-3-fluoroazetidine is CC=CCN1CC(F)C1.
What is the InChIKey of 1-but-2-enyl-3-fluoroazetidine?
The InChIKey is HZHXWSMHZJTERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-3-4-9-5-7(8)6-9/h2-3,7H,4-6H2,1H3.
What are the key properties of 1-but-2-enyl-3-fluoroazetidine?
1-but-2-enyl-3-fluoroazetidine has a molecular weight of 129.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-3-fluoroazetidine is sourced from PubChem (CID 175815484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).