3-(4-chloro-3,3-difluorobutoxy)azetidine

C7H12ClF2NO — CID 175192234

IUPAC3-(4-chloro-3,3-difluorobutoxy)azetidine
SMILESFC(F)(CCl)CCOC1CNC1
InChIInChI=1S/C7H12ClF2NO/c8-5-7(9,10)1-2-12-6-3-11-4-6/h6,11H,1-5H2
InChIKeyQHDBCRDCUWIXNG-UHFFFAOYSA-N
MW199.63 g/mol
LogP1.24
Rot. Bonds5

About 3-(4-chloro-3,3-difluorobutoxy)azetidine

3-(4-chloro-3,3-difluorobutoxy)azetidine (PubChem CID 175192234) has the molecular formula C7H12ClF2NO and a molecular weight of 199.63 g/mol. Its IUPAC name is 3-(4-chloro-3,3-difluorobutoxy)azetidine.

Molecular Properties

Compound Name3-(4-chloro-3,3-difluorobutoxy)azetidine
PubChem CID175192234
Molecular FormulaC7H12ClF2NO
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Name3-(4-chloro-3,3-difluorobutoxy)azetidine
SMILESFC(F)(CCl)CCOC1CNC1
InChIInChI=1S/C7H12ClF2NO/c8-5-7(9,10)1-2-12-6-3-11-4-6/h6,11H,1-5H2
InChIKeyQHDBCRDCUWIXNG-UHFFFAOYSA-N
XLogP1.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chloro-3,3-difluorobutoxy)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloro-3,3-difluorobutoxy)azetidine;3-(3,3-difluorocyclobutyl)oxyazetidine;dihydrochloride
CID 175192233
3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine
CID 165499881
(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
3-(4-fluorobutoxy)azetidine
CID 130549464
3-(2-cyclobutyloxyethoxy)azetidine
CID 165492875
3-[2-[4-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 115070494
3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
CID 106939889
3-(azetidin-3-yloxy)propanenitrile;hydrochloride
CID 170627171
3-ethoxyazetidine
CID 22507733
3-[2-(4-fluorophenyl)ethoxy]azetidine
CID 115070498
3-(6-methylheptoxy)azetidine
CID 165499663
4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
CID 86775442

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,3-difluorobutoxy)azetidine?
The IUPAC name of 3-(4-chloro-3,3-difluorobutoxy)azetidine (CID 175192234) is 3-(4-chloro-3,3-difluorobutoxy)azetidine.
What is the SMILES notation for 3-(4-chloro-3,3-difluorobutoxy)azetidine?
The canonical SMILES for 3-(4-chloro-3,3-difluorobutoxy)azetidine is FC(F)(CCl)CCOC1CNC1.
What is the InChIKey of 3-(4-chloro-3,3-difluorobutoxy)azetidine?
The InChIKey is QHDBCRDCUWIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF2NO/c8-5-7(9,10)1-2-12-6-3-11-4-6/h6,11H,1-5H2.
What are the key properties of 3-(4-chloro-3,3-difluorobutoxy)azetidine?
3-(4-chloro-3,3-difluorobutoxy)azetidine has a molecular weight of 199.63 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,3-difluorobutoxy)azetidine is sourced from PubChem (CID 175192234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).