3-fluoro-1-pentylazetidine

C8H16FN — CID 89128137

IUPAC3-fluoro-1-pentylazetidine
SMILESCCCCCN1CC(F)C1
InChIInChI=1S/C8H16FN/c1-2-3-4-5-10-6-8(9)7-10/h8H,2-7H2,1H3
InChIKeyZFOLFIWIZSRRLE-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds4

About 3-fluoro-1-pentylazetidine

3-fluoro-1-pentylazetidine (PubChem CID 89128137) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-1-pentylazetidine.

Molecular Properties

Compound Name3-fluoro-1-pentylazetidine
PubChem CID89128137
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-1-pentylazetidine
SMILESCCCCCN1CC(F)C1
InChIInChI=1S/C8H16FN/c1-2-3-4-5-10-6-8(9)7-10/h8H,2-7H2,1H3
InChIKeyZFOLFIWIZSRRLE-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-pentylazetidine?
The IUPAC name of 3-fluoro-1-pentylazetidine (CID 89128137) is 3-fluoro-1-pentylazetidine.
What is the SMILES notation for 3-fluoro-1-pentylazetidine?
The canonical SMILES for 3-fluoro-1-pentylazetidine is CCCCCN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-pentylazetidine?
The InChIKey is ZFOLFIWIZSRRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-3-4-5-10-6-8(9)7-10/h8H,2-7H2,1H3.
What are the key properties of 3-fluoro-1-pentylazetidine?
3-fluoro-1-pentylazetidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-pentylazetidine is sourced from PubChem (CID 89128137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).