2-(3,4-difluorophenyl)azetidine

C9H9F2N — CID 55283447

IUPAC2-(3,4-difluorophenyl)azetidine
SMILESFc1ccc(C2CCN2)cc1F
InChIInChI=1S/C9H9F2N/c10-7-2-1-6(5-8(7)11)9-3-4-12-9/h1-2,5,9,12H,3-4H2
InChIKeyHKVNWGNTUHFFFA-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.00
Rot. Bonds1

About 2-(3,4-difluorophenyl)azetidine

2-(3,4-difluorophenyl)azetidine (PubChem CID 55283447) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)azetidine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)azetidine
PubChem CID55283447
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name2-(3,4-difluorophenyl)azetidine
SMILESFc1ccc(C2CCN2)cc1F
InChIInChI=1S/C9H9F2N/c10-7-2-1-6(5-8(7)11)9-3-4-12-9/h1-2,5,9,12H,3-4H2
InChIKeyHKVNWGNTUHFFFA-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)azetidine?
The IUPAC name of 2-(3,4-difluorophenyl)azetidine (CID 55283447) is 2-(3,4-difluorophenyl)azetidine.
What is the SMILES notation for 2-(3,4-difluorophenyl)azetidine?
The canonical SMILES for 2-(3,4-difluorophenyl)azetidine is Fc1ccc(C2CCN2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)azetidine?
The InChIKey is HKVNWGNTUHFFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c10-7-2-1-6(5-8(7)11)9-3-4-12-9/h1-2,5,9,12H,3-4H2.
What are the key properties of 2-(3,4-difluorophenyl)azetidine?
2-(3,4-difluorophenyl)azetidine has a molecular weight of 169.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)azetidine is sourced from PubChem (CID 55283447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).