3-(3,4-difluorophenoxy)azetidine

C9H9F2NO — CID 22309140

IUPAC3-(3,4-difluorophenoxy)azetidine
SMILESFc1ccc(OC2CNC2)cc1F
InChIInChI=1S/C9H9F2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2
InChIKeyAPPWDWVMENBZFH-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.32
Rot. Bonds2

About 3-(3,4-difluorophenoxy)azetidine

3-(3,4-difluorophenoxy)azetidine (PubChem CID 22309140) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)azetidine.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)azetidine
PubChem CID22309140
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3-(3,4-difluorophenoxy)azetidine
SMILESFc1ccc(OC2CNC2)cc1F
InChIInChI=1S/C9H9F2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2
InChIKeyAPPWDWVMENBZFH-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)azetidine?
The IUPAC name of 3-(3,4-difluorophenoxy)azetidine (CID 22309140) is 3-(3,4-difluorophenoxy)azetidine.
What is the SMILES notation for 3-(3,4-difluorophenoxy)azetidine?
The canonical SMILES for 3-(3,4-difluorophenoxy)azetidine is Fc1ccc(OC2CNC2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenoxy)azetidine?
The InChIKey is APPWDWVMENBZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2.
What are the key properties of 3-(3,4-difluorophenoxy)azetidine?
3-(3,4-difluorophenoxy)azetidine has a molecular weight of 185.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)azetidine is sourced from PubChem (CID 22309140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).