3-butyl-3-fluoroazetidine

C7H14FN — CID 112563312

IUPAC3-butyl-3-fluoroazetidine
SMILESCCCCC1(F)CNC1
InChIInChI=1S/C7H14FN/c1-2-3-4-7(8)5-9-6-7/h9H,2-6H2,1H3
InChIKeyKZVIGTUECPATRA-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.49
Rot. Bonds3

About 3-butyl-3-fluoroazetidine

3-butyl-3-fluoroazetidine (PubChem CID 112563312) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-butyl-3-fluoroazetidine.

Molecular Properties

Compound Name3-butyl-3-fluoroazetidine
PubChem CID112563312
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-butyl-3-fluoroazetidine
SMILESCCCCC1(F)CNC1
InChIInChI=1S/C7H14FN/c1-2-3-4-7(8)5-9-6-7/h9H,2-6H2,1H3
InChIKeyKZVIGTUECPATRA-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-3-fluoropyrrolidine
CID 112564219
3-butyl-3-methylazetidine;ethane
CID 145389820
3-fluoro-3-(2-methylhexyl)azetidine
CID 155094729
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-propylpiperidine
CID 83815245
(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide
CID 153177317
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
3-decyl-3-ethylazetidine
CID 79451957
3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride
CID 122239781
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
2,2-dibutyl-1,1-dimethylpiperazin-1-ium
CID 67229366
6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
CID 142638690

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-fluoroazetidine?
The IUPAC name of 3-butyl-3-fluoroazetidine (CID 112563312) is 3-butyl-3-fluoroazetidine.
What is the SMILES notation for 3-butyl-3-fluoroazetidine?
The canonical SMILES for 3-butyl-3-fluoroazetidine is CCCCC1(F)CNC1.
What is the InChIKey of 3-butyl-3-fluoroazetidine?
The InChIKey is KZVIGTUECPATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-2-3-4-7(8)5-9-6-7/h9H,2-6H2,1H3.
What are the key properties of 3-butyl-3-fluoroazetidine?
3-butyl-3-fluoroazetidine has a molecular weight of 131.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-fluoroazetidine is sourced from PubChem (CID 112563312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).