3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine

C17H17F2N — CID 79451683

IUPAC3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCc1ccccc1C1(Cc2cccc(F)c2F)CNC1
InChIInChI=1S/C17H17F2N/c1-12-5-2-3-7-14(12)17(10-20-11-17)9-13-6-4-8-15(18)16(13)19/h2-8,20H,9-11H2,1H3
InChIKeyQRISCAKTKKZVRJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.36
Rot. Bonds3

About 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine

3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine (PubChem CID 79451683) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine
PubChem CID79451683
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCc1ccccc1C1(Cc2cccc(F)c2F)CNC1
InChIInChI=1S/C17H17F2N/c1-12-5-2-3-7-14(12)17(10-20-11-17)9-13-6-4-8-15(18)16(13)19/h2-8,20H,9-11H2,1H3
InChIKeyQRISCAKTKKZVRJ-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine (CID 79451683) is 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine is Cc1ccccc1C1(Cc2cccc(F)c2F)CNC1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine?
The InChIKey is QRISCAKTKKZVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-12-5-2-3-7-14(12)17(10-20-11-17)9-13-6-4-8-15(18)16(13)19/h2-8,20H,9-11H2,1H3.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine?
3-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)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-[(2,3-difluorophenyl)methyl]-3-(2-methylphenyl)azetidine is sourced from PubChem (CID 79451683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).