3-(4-fluorobutoxy)azetidine

C7H14FNO — CID 130549464

IUPAC3-(4-fluorobutoxy)azetidine
SMILESFCCCCOC1CNC1
InChIInChI=1S/C7H14FNO/c8-3-1-2-4-10-7-5-9-6-7/h7,9H,1-6H2
InChIKeyRXHKDYFJIAKPCA-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds5

About 3-(4-fluorobutoxy)azetidine

3-(4-fluorobutoxy)azetidine (PubChem CID 130549464) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-(4-fluorobutoxy)azetidine.

Molecular Properties

Compound Name3-(4-fluorobutoxy)azetidine
PubChem CID130549464
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-(4-fluorobutoxy)azetidine
SMILESFCCCCOC1CNC1
InChIInChI=1S/C7H14FNO/c8-3-1-2-4-10-7-5-9-6-7/h7,9H,1-6H2
InChIKeyRXHKDYFJIAKPCA-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methylheptoxy)azetidine
CID 165499663
6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine
CID 146427989
3-(2-cyclobutyloxyethoxy)azetidine
CID 165492875
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
3-(4-chloro-3,3-difluorobutoxy)azetidine
CID 175192234
3-(3-fluoropropoxy)cyclobutan-1-amine
CID 81113512
3-(azetidin-3-yloxy)propanenitrile;hydrochloride
CID 170627171
3-ethoxyazetidine
CID 22507733
3-[2-(4-fluorophenyl)ethoxy]azetidine
CID 115070498
3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine
CID 165499881
(3R)-3-(4-methylpentoxy)pyrrolidine
CID 115460364
1-fluoro-17-(2-fluoroethoxy)heptadecane
CID 155014984

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobutoxy)azetidine?
The IUPAC name of 3-(4-fluorobutoxy)azetidine (CID 130549464) is 3-(4-fluorobutoxy)azetidine.
What is the SMILES notation for 3-(4-fluorobutoxy)azetidine?
The canonical SMILES for 3-(4-fluorobutoxy)azetidine is FCCCCOC1CNC1.
What is the InChIKey of 3-(4-fluorobutoxy)azetidine?
The InChIKey is RXHKDYFJIAKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-3-1-2-4-10-7-5-9-6-7/h7,9H,1-6H2.
What are the key properties of 3-(4-fluorobutoxy)azetidine?
3-(4-fluorobutoxy)azetidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobutoxy)azetidine is sourced from PubChem (CID 130549464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).