3-fluoro-1-pentan-2-ylazetidine

C8H16FN — CID 126993950

IUPAC3-fluoro-1-pentan-2-ylazetidine
SMILESCCCC(C)N1CC(F)C1
InChIInChI=1S/C8H16FN/c1-3-4-7(2)10-5-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyQJYKDFLKHAIITL-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds3

About 3-fluoro-1-pentan-2-ylazetidine

3-fluoro-1-pentan-2-ylazetidine (PubChem CID 126993950) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-1-pentan-2-ylazetidine.

Molecular Properties

Compound Name3-fluoro-1-pentan-2-ylazetidine
PubChem CID126993950
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-1-pentan-2-ylazetidine
SMILESCCCC(C)N1CC(F)C1
InChIInChI=1S/C8H16FN/c1-3-4-7(2)10-5-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyQJYKDFLKHAIITL-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-pentan-2-ylazetidine?
The IUPAC name of 3-fluoro-1-pentan-2-ylazetidine (CID 126993950) is 3-fluoro-1-pentan-2-ylazetidine.
What is the SMILES notation for 3-fluoro-1-pentan-2-ylazetidine?
The canonical SMILES for 3-fluoro-1-pentan-2-ylazetidine is CCCC(C)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-pentan-2-ylazetidine?
The InChIKey is QJYKDFLKHAIITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-4-7(2)10-5-8(9)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-1-pentan-2-ylazetidine?
3-fluoro-1-pentan-2-ylazetidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-pentan-2-ylazetidine is sourced from PubChem (CID 126993950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).