3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine

C16H14Cl2FNO — CID 90217872

IUPAC3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
SMILESFc1ccc(C(Oc2ccc(Cl)cc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H14Cl2FNO/c17-12-2-4-13(5-3-12)21-16(11-8-20-9-11)10-1-6-15(19)14(18)7-10/h1-7,11,16,20H,8-9H2
InChIKeyRIMZPWSBOBJKLC-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.47
Rot. Bonds4

About 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine

3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine (PubChem CID 90217872) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
PubChem CID90217872
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
SMILESFc1ccc(C(Oc2ccc(Cl)cc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H14Cl2FNO/c17-12-2-4-13(5-3-12)21-16(11-8-20-9-11)10-1-6-15(19)14(18)7-10/h1-7,11,16,20H,8-9H2
InChIKeyRIMZPWSBOBJKLC-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]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-[(3-chloro-4-fluorophenyl)-(4-methylphenoxy)methyl]azetidine;hydrochloride
CID 90217797
3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
CID 78094255
3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 71515620
3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
CID 71516269
3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
CID 71516473
3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine
CID 71516194
3-[(S)-(4-chloro-3-fluorophenyl)-(2-methylphenoxy)methyl]azetidine;hydrochloride
CID 71515548
3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71515688
(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66848895

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine (CID 90217872) is 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine is Fc1ccc(C(Oc2ccc(Cl)cc2)C2CNC2)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine?
The InChIKey is RIMZPWSBOBJKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c17-12-2-4-13(5-3-12)21-16(11-8-20-9-11)10-1-6-15(19)14(18)7-10/h1-7,11,16,20H,8-9H2.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine?
3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine has a molecular weight of 326.20 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine is sourced from PubChem (CID 90217872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).