2-[(4-chloro-2-fluorophenoxy)methyl]azetidine

C10H11ClFNO — CID 84681387

IUPAC2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
SMILESFc1cc(Cl)ccc1OCC1CCN1
InChIInChI=1S/C10H11ClFNO/c11-7-1-2-10(9(12)5-7)14-6-8-3-4-13-8/h1-2,5,8,13H,3-4,6H2
InChIKeyWNOQBGALJGXRIW-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.22
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine

2-[(4-chloro-2-fluorophenoxy)methyl]azetidine (PubChem CID 84681387) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
PubChem CID84681387
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
SMILESFc1cc(Cl)ccc1OCC1CCN1
InChIInChI=1S/C10H11ClFNO/c11-7-1-2-10(9(12)5-7)14-6-8-3-4-13-8/h1-2,5,8,13H,3-4,6H2
InChIKeyWNOQBGALJGXRIW-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
4-(azetidin-2-ylmethoxy)-3-bromophenol
CID 84709333
2-[(5-bromo-2-chlorophenoxy)methyl]azetidine
CID 84714468
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10241442
3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
CID 46182395
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
CID 62349426
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine?
The IUPAC name of 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine (CID 84681387) is 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine is Fc1cc(Cl)ccc1OCC1CCN1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine?
The InChIKey is WNOQBGALJGXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-7-1-2-10(9(12)5-7)14-6-8-3-4-13-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine?
2-[(4-chloro-2-fluorophenoxy)methyl]azetidine has a molecular weight of 215.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenoxy)methyl]azetidine is sourced from PubChem (CID 84681387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).