1-(4-fluorobutyl)azetidine

C7H14FN — CID 89149254

IUPAC1-(4-fluorobutyl)azetidine
SMILESFCCCCN1CCC1
InChIInChI=1S/C7H14FN/c8-4-1-2-5-9-6-3-7-9/h1-7H2
InChIKeyLAEFRUAWQMWWNO-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-fluorobutyl)azetidine

1-(4-fluorobutyl)azetidine (PubChem CID 89149254) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 1-(4-fluorobutyl)azetidine.

Molecular Properties

Compound Name1-(4-fluorobutyl)azetidine
PubChem CID89149254
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name1-(4-fluorobutyl)azetidine
SMILESFCCCCN1CCC1
InChIInChI=1S/C7H14FN/c8-4-1-2-5-9-6-3-7-9/h1-7H2
InChIKeyLAEFRUAWQMWWNO-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.44
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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Related Compounds

6-(azetidin-1-yl)hexan-1-amine
CID 18952651
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-heptylazetidine
CID 134402356
[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 138385310
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
5-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 43253140
1-butylazetidine;ethane
CID 143628082

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)azetidine?
The IUPAC name of 1-(4-fluorobutyl)azetidine (CID 89149254) is 1-(4-fluorobutyl)azetidine.
What is the SMILES notation for 1-(4-fluorobutyl)azetidine?
The canonical SMILES for 1-(4-fluorobutyl)azetidine is FCCCCN1CCC1.
What is the InChIKey of 1-(4-fluorobutyl)azetidine?
The InChIKey is LAEFRUAWQMWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c8-4-1-2-5-9-6-3-7-9/h1-7H2.
What are the key properties of 1-(4-fluorobutyl)azetidine?
1-(4-fluorobutyl)azetidine has a molecular weight of 131.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)azetidine is sourced from PubChem (CID 89149254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).