2-(4-chloro-2-fluorophenyl)azetidine

C9H9ClFN — CID 55271192

IUPAC2-(4-chloro-2-fluorophenyl)azetidine
SMILESFc1cc(Cl)ccc1C1CCN1
InChIInChI=1S/C9H9ClFN/c10-6-1-2-7(8(11)5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2
InChIKeyKOTYBEBMMPBREZ-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.51
Rot. Bonds1

About 2-(4-chloro-2-fluorophenyl)azetidine

2-(4-chloro-2-fluorophenyl)azetidine (PubChem CID 55271192) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)azetidine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)azetidine
PubChem CID55271192
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name2-(4-chloro-2-fluorophenyl)azetidine
SMILESFc1cc(Cl)ccc1C1CCN1
InChIInChI=1S/C9H9ClFN/c10-6-1-2-7(8(11)5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2
InChIKeyKOTYBEBMMPBREZ-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)azetidine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)azetidine (CID 55271192) is 2-(4-chloro-2-fluorophenyl)azetidine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)azetidine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)azetidine is Fc1cc(Cl)ccc1C1CCN1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)azetidine?
The InChIKey is KOTYBEBMMPBREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-6-1-2-7(8(11)5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)azetidine?
2-(4-chloro-2-fluorophenyl)azetidine has a molecular weight of 185.63 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)azetidine is sourced from PubChem (CID 55271192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).