3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine

C16H14Cl2FN — CID 102621662

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
SMILESFc1ccc(Cl)c(CC2(c3ccc(Cl)cc3)CNC2)c1
InChIInChI=1S/C16H14Cl2FN/c17-13-3-1-12(2-4-13)16(9-20-10-16)8-11-7-14(19)5-6-15(11)18/h1-7,20H,8-10H2
InChIKeyMSOAKQCKPDUPBY-UHFFFAOYSA-N
MW310.20 g/mol
LogP4.22
Rot. Bonds3

About 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine

3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine (PubChem CID 102621662) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
PubChem CID102621662
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
SMILESFc1ccc(Cl)c(CC2(c3ccc(Cl)cc3)CNC2)c1
InChIInChI=1S/C16H14Cl2FN/c17-13-3-1-12(2-4-13)16(9-20-10-16)8-11-7-14(19)5-6-15(11)18/h1-7,20H,8-10H2
InChIKeyMSOAKQCKPDUPBY-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)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-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161
3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460976
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 114350031
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
3-[(2-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
CID 79451883
3-(2-chlorophenyl)-3-[(2,4-difluorophenyl)methyl]azetidine
CID 79460895

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine (CID 102621662) is 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine is Fc1ccc(Cl)c(CC2(c3ccc(Cl)cc3)CNC2)c1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine?
The InChIKey is MSOAKQCKPDUPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c17-13-3-1-12(2-4-13)16(9-20-10-16)8-11-7-14(19)5-6-15(11)18/h1-7,20H,8-10H2.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine?
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine has a molecular weight of 310.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine is sourced from PubChem (CID 102621662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).