2-(3-fluorophenyl)azetidine

C9H10FN — CID 54595834

IUPAC2-(3-fluorophenyl)azetidine
SMILESFc1cccc(C2CCN2)c1
InChIInChI=1S/C9H10FN/c10-8-3-1-2-7(6-8)9-4-5-11-9/h1-3,6,9,11H,4-5H2
InChIKeyPGQSCZAAKMIITI-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.86
Rot. Bonds1

About 2-(3-fluorophenyl)azetidine

2-(3-fluorophenyl)azetidine (PubChem CID 54595834) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 2-(3-fluorophenyl)azetidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)azetidine
PubChem CID54595834
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name2-(3-fluorophenyl)azetidine
SMILESFc1cccc(C2CCN2)c1
InChIInChI=1S/C9H10FN/c10-8-3-1-2-7(6-8)9-4-5-11-9/h1-3,6,9,11H,4-5H2
InChIKeyPGQSCZAAKMIITI-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)azetidine?
The IUPAC name of 2-(3-fluorophenyl)azetidine (CID 54595834) is 2-(3-fluorophenyl)azetidine.
What is the SMILES notation for 2-(3-fluorophenyl)azetidine?
The canonical SMILES for 2-(3-fluorophenyl)azetidine is Fc1cccc(C2CCN2)c1.
What is the InChIKey of 2-(3-fluorophenyl)azetidine?
The InChIKey is PGQSCZAAKMIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c10-8-3-1-2-7(6-8)9-4-5-11-9/h1-3,6,9,11H,4-5H2.
What are the key properties of 2-(3-fluorophenyl)azetidine?
2-(3-fluorophenyl)azetidine has a molecular weight of 151.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)azetidine is sourced from PubChem (CID 54595834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).