3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine

C8H13F2NO — CID 166744017

IUPAC3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine
SMILESCN1CC(OC2CC(F)(F)C2)C1
InChIInChI=1S/C8H13F2NO/c1-11-4-7(5-11)12-6-2-8(9,10)3-6/h6-7H,2-5H2,1H3
InChIKeyIUFJUSYMTRUSRO-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.11
Rot. Bonds2

About 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine

3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine (PubChem CID 166744017) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine
PubChem CID166744017
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine
SMILESCN1CC(OC2CC(F)(F)C2)C1
InChIInChI=1S/C8H13F2NO/c1-11-4-7(5-11)12-6-2-8(9,10)3-6/h6-7H,2-5H2,1H3
InChIKeyIUFJUSYMTRUSRO-UHFFFAOYSA-N
XLogP1.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine?
The IUPAC name of 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine (CID 166744017) is 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine is CN1CC(OC2CC(F)(F)C2)C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine?
The InChIKey is IUFJUSYMTRUSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-11-4-7(5-11)12-6-2-8(9,10)3-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine?
3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine has a molecular weight of 177.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)oxy-1-methylazetidine is sourced from PubChem (CID 166744017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).