2-(4-fluorophenyl)-3-methylazetidine

C10H12FN — CID 66350538

IUPAC2-(4-fluorophenyl)-3-methylazetidine
SMILESCC1CNC1c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-7-6-12-10(7)8-2-4-9(11)5-3-8/h2-5,7,10,12H,6H2,1H3
InChIKeyZYXAXUVHZHBJKK-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.11
Rot. Bonds1

About 2-(4-fluorophenyl)-3-methylazetidine

2-(4-fluorophenyl)-3-methylazetidine (PubChem CID 66350538) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methylazetidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methylazetidine
PubChem CID66350538
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name2-(4-fluorophenyl)-3-methylazetidine
SMILESCC1CNC1c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-7-6-12-10(7)8-2-4-9(11)5-3-8/h2-5,7,10,12H,6H2,1H3
InChIKeyZYXAXUVHZHBJKK-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methylazetidine?
The IUPAC name of 2-(4-fluorophenyl)-3-methylazetidine (CID 66350538) is 2-(4-fluorophenyl)-3-methylazetidine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methylazetidine?
The canonical SMILES for 2-(4-fluorophenyl)-3-methylazetidine is CC1CNC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methylazetidine?
The InChIKey is ZYXAXUVHZHBJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-6-12-10(7)8-2-4-9(11)5-3-8/h2-5,7,10,12H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-methylazetidine?
2-(4-fluorophenyl)-3-methylazetidine has a molecular weight of 165.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methylazetidine is sourced from PubChem (CID 66350538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).