3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine

C11H13F2NO — CID 66351796

IUPAC3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(F)ccc2F)C1
InChIInChI=1S/C11H13F2NO/c1-14-8-5-9(6-8)15-11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyMLCXFOHKHUVNKS-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.09
Rot. Bonds3

About 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine

3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine (PubChem CID 66351796) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
PubChem CID66351796
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(F)ccc2F)C1
InChIInChI=1S/C11H13F2NO/c1-14-8-5-9(6-8)15-11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyMLCXFOHKHUVNKS-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine (CID 66351796) is 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is MLCXFOHKHUVNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-14-8-5-9(6-8)15-11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3.
What are the key properties of 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine?
3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66351796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).