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

C17H18FN — CID 79460505

IUPAC3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine
SMILESCc1ccccc1CC1(c2ccccc2F)CNC1
InChIInChI=1S/C17H18FN/c1-13-6-2-3-7-14(13)10-17(11-19-12-17)15-8-4-5-9-16(15)18/h2-9,19H,10-12H2,1H3
InChIKeyHTSTXWYRSQAVMJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.22
Rot. Bonds3

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

3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine (PubChem CID 79460505) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine
PubChem CID79460505
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine
SMILESCc1ccccc1CC1(c2ccccc2F)CNC1
InChIInChI=1S/C17H18FN/c1-13-6-2-3-7-14(13)10-17(11-19-12-17)15-8-4-5-9-16(15)18/h2-9,19H,10-12H2,1H3
InChIKeyHTSTXWYRSQAVMJ-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine?
The IUPAC name of 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine (CID 79460505) is 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine is Cc1ccccc1CC1(c2ccccc2F)CNC1.
What is the InChIKey of 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine?
The InChIKey is HTSTXWYRSQAVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-13-6-2-3-7-14(13)10-17(11-19-12-17)15-8-4-5-9-16(15)18/h2-9,19H,10-12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine?
3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine has a molecular weight of 255.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine is sourced from PubChem (CID 79460505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).