3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine

C17H17ClFN — CID 105376161

IUPAC3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
SMILESCc1ccc(F)cc1CC1(c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C17H17ClFN/c1-12-2-7-16(19)8-13(12)9-17(10-20-11-17)14-3-5-15(18)6-4-14/h2-8,20H,9-11H2,1H3
InChIKeySZNCGCFAKDAIQU-UHFFFAOYSA-N
MW289.78 g/mol
LogP3.87
Rot. Bonds3

About 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine

3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine (PubChem CID 105376161) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
PubChem CID105376161
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
SMILESCc1ccc(F)cc1CC1(c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C17H17ClFN/c1-12-2-7-16(19)8-13(12)9-17(10-20-11-17)14-3-5-15(18)6-4-14/h2-8,20H,9-11H2,1H3
InChIKeySZNCGCFAKDAIQU-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine?
The IUPAC name of 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine (CID 105376161) is 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine is Cc1ccc(F)cc1CC1(c2ccc(Cl)cc2)CNC1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine?
The InChIKey is SZNCGCFAKDAIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-12-2-7-16(19)8-13(12)9-17(10-20-11-17)14-3-5-15(18)6-4-14/h2-8,20H,9-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine?
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine has a molecular weight of 289.78 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine is sourced from PubChem (CID 105376161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).