3-[(3-chloro-5-fluorophenoxy)methyl]azetidine

C10H11ClFNO — CID 154815248

IUPAC3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
SMILESFc1cc(Cl)cc(OCC2CNC2)c1
InChIInChI=1S/C10H11ClFNO/c11-8-1-9(12)3-10(2-8)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyUDKYETKZUOJIAW-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.08
Rot. Bonds3

About 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine

3-[(3-chloro-5-fluorophenoxy)methyl]azetidine (PubChem CID 154815248) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
PubChem CID154815248
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
SMILESFc1cc(Cl)cc(OCC2CNC2)c1
InChIInChI=1S/C10H11ClFNO/c11-8-1-9(12)3-10(2-8)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2
InChIKeyUDKYETKZUOJIAW-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride
CID 171700439
3-[(3-fluoro-5-methylphenoxy)methyl]azetidine
CID 154815250
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
(3S)-3-[(3-bromo-5-chlorophenoxy)methyl]pyrrolidine;hydrochloride
CID 166175564
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
CID 138485152
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
3-[(3-chloro-5-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 164885735
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
3-[(5-chloro-2-methylphenoxy)methyl]azetidine
CID 126979014

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine?
The IUPAC name of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine (CID 154815248) is 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine?
The canonical SMILES for 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine is Fc1cc(Cl)cc(OCC2CNC2)c1.
What is the InChIKey of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine?
The InChIKey is UDKYETKZUOJIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-8-1-9(12)3-10(2-8)14-6-7-4-13-5-7/h1-3,7,13H,4-6H2.
What are the key properties of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine?
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine has a molecular weight of 215.66 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine is sourced from PubChem (CID 154815248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).