3-(2,3-difluorophenoxy)azetidine

C9H9F2NO — CID 53407685

IUPAC3-(2,3-difluorophenoxy)azetidine
SMILESFc1cccc(OC2CNC2)c1F
InChIInChI=1S/C9H9F2NO/c10-7-2-1-3-8(9(7)11)13-6-4-12-5-6/h1-3,6,12H,4-5H2
InChIKeyTXTVXNRODZFMEX-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.32
Rot. Bonds2

About 3-(2,3-difluorophenoxy)azetidine

3-(2,3-difluorophenoxy)azetidine (PubChem CID 53407685) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)azetidine.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)azetidine
PubChem CID53407685
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3-(2,3-difluorophenoxy)azetidine
SMILESFc1cccc(OC2CNC2)c1F
InChIInChI=1S/C9H9F2NO/c10-7-2-1-3-8(9(7)11)13-6-4-12-5-6/h1-3,6,12H,4-5H2
InChIKeyTXTVXNRODZFMEX-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-(2,3-difluorophenoxy)azetidine?
The IUPAC name of 3-(2,3-difluorophenoxy)azetidine (CID 53407685) is 3-(2,3-difluorophenoxy)azetidine.
What is the SMILES notation for 3-(2,3-difluorophenoxy)azetidine?
The canonical SMILES for 3-(2,3-difluorophenoxy)azetidine is Fc1cccc(OC2CNC2)c1F.
What is the InChIKey of 3-(2,3-difluorophenoxy)azetidine?
The InChIKey is TXTVXNRODZFMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-7-2-1-3-8(9(7)11)13-6-4-12-5-6/h1-3,6,12H,4-5H2.
What are the key properties of 3-(2,3-difluorophenoxy)azetidine?
3-(2,3-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-(2,3-difluorophenoxy)azetidine is sourced from PubChem (CID 53407685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).