3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine

C17H17F2N — CID 114350031

IUPAC3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
SMILESCc1cc(F)ccc1CC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C17H17F2N/c1-12-8-16(19)5-2-13(12)9-17(10-20-11-17)14-3-6-15(18)7-4-14/h2-8,20H,9-11H2,1H3
InChIKeyPVSYJROKHVSTLH-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.36
Rot. Bonds3

About 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine

3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine (PubChem CID 114350031) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
PubChem CID114350031
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
SMILESCc1cc(F)ccc1CC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C17H17F2N/c1-12-8-16(19)5-2-13(12)9-17(10-20-11-17)14-3-6-15(18)7-4-14/h2-8,20H,9-11H2,1H3
InChIKeyPVSYJROKHVSTLH-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)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-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460976
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
CID 79460170
3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460562
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687906
1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole
CID 79460063

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine (CID 114350031) is 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine is Cc1cc(F)ccc1CC1(c2ccc(F)cc2)CNC1.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine?
The InChIKey is PVSYJROKHVSTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-12-8-16(19)5-2-13(12)9-17(10-20-11-17)14-3-6-15(18)7-4-14/h2-8,20H,9-11H2,1H3.
What are the key properties of 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine?
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine has a molecular weight of 273.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine is sourced from PubChem (CID 114350031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).