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

C10H12Cl2FNO — CID 171700439

IUPAC3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride
SMILESCl.Fc1cc(Cl)cc(OCC2CNC2)c1
InChIInChI=1S/C10H11ClFNO.ClH/c11-8-1-9(12)3-10(2-8)14-6-7-4-13-5-7;/h1-3,7,13H,4-6H2;1H
InChIKeyKKVXQWAYMPTHAU-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.50
Rot. Bonds3

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

3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride (PubChem CID 171700439) has the molecular formula C10H12Cl2FNO and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride
PubChem CID171700439
Molecular FormulaC10H12Cl2FNO
Molecular Weight252.12 g/mol
Exact Mass251.03
IUPAC Name3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride
SMILESCl.Fc1cc(Cl)cc(OCC2CNC2)c1
InChIInChI=1S/C10H11ClFNO.ClH/c11-8-1-9(12)3-10(2-8)14-6-7-4-13-5-7;/h1-3,7,13H,4-6H2;1H
InChIKeyKKVXQWAYMPTHAU-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
CID 154815248
3-[(3-fluoro-5-methylphenoxy)methyl]azetidine
CID 154815250
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
(3S)-3-[(3-bromo-5-chlorophenoxy)methyl]pyrrolidine;hydrochloride
CID 166175564
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
3-[(3-chloro-5-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 164885735
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
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
CID 24902414

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride (CID 171700439) is 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride is Cl.Fc1cc(Cl)cc(OCC2CNC2)c1.
What is the InChIKey of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride?
The InChIKey is KKVXQWAYMPTHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO.ClH/c11-8-1-9(12)3-10(2-8)14-6-7-4-13-5-7;/h1-3,7,13H,4-6H2;1H.
What are the key properties of 3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride?
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride has a molecular weight of 252.12 g/mol, XLogP of 2.50, 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;hydrochloride is sourced from PubChem (CID 171700439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).