3-(3,5-difluorophenoxy)-1-ethylazetidine

C11H13F2NO — CID 134521250

IUPAC3-(3,5-difluorophenoxy)-1-ethylazetidine
SMILESCCN1CC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C11H13F2NO/c1-2-14-6-11(7-14)15-10-4-8(12)3-9(13)5-10/h3-5,11H,2,6-7H2,1H3
InChIKeyYYEWNOHXTGHXAP-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.05
Rot. Bonds3

About 3-(3,5-difluorophenoxy)-1-ethylazetidine

3-(3,5-difluorophenoxy)-1-ethylazetidine (PubChem CID 134521250) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-1-ethylazetidine.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-1-ethylazetidine
PubChem CID134521250
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(3,5-difluorophenoxy)-1-ethylazetidine
SMILESCCN1CC(Oc2cc(F)cc(F)c2)C1
InChIInChI=1S/C11H13F2NO/c1-2-14-6-11(7-14)15-10-4-8(12)3-9(13)5-10/h3-5,11H,2,6-7H2,1H3
InChIKeyYYEWNOHXTGHXAP-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-1-ethylazetidine?
The IUPAC name of 3-(3,5-difluorophenoxy)-1-ethylazetidine (CID 134521250) is 3-(3,5-difluorophenoxy)-1-ethylazetidine.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-1-ethylazetidine?
The canonical SMILES for 3-(3,5-difluorophenoxy)-1-ethylazetidine is CCN1CC(Oc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-1-ethylazetidine?
The InChIKey is YYEWNOHXTGHXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-2-14-6-11(7-14)15-10-4-8(12)3-9(13)5-10/h3-5,11H,2,6-7H2,1H3.
What are the key properties of 3-(3,5-difluorophenoxy)-1-ethylazetidine?
3-(3,5-difluorophenoxy)-1-ethylazetidine has a molecular weight of 213.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-1-ethylazetidine is sourced from PubChem (CID 134521250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).