3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine

C9H17F2NO2 — CID 104674992

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine
SMILESCCNC1CC(OCC(F)F)C1OC
InChIInChI=1S/C9H17F2NO2/c1-3-12-6-4-7(9(6)13-2)14-5-8(10)11/h6-9,12H,3-5H2,1-2H3
InChIKeyJMBFJOSWRGREAQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.03
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine

3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine (PubChem CID 104674992) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine
PubChem CID104674992
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine
SMILESCCNC1CC(OCC(F)F)C1OC
InChIInChI=1S/C9H17F2NO2/c1-3-12-6-4-7(9(6)13-2)14-5-8(10)11/h6-9,12H,3-5H2,1-2H3
InChIKeyJMBFJOSWRGREAQ-UHFFFAOYSA-N
XLogP1.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine (CID 104674992) is 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine is CCNC1CC(OCC(F)F)C1OC.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
The InChIKey is JMBFJOSWRGREAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-3-12-6-4-7(9(6)13-2)14-5-8(10)11/h6-9,12H,3-5H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine has a molecular weight of 209.24 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyl-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104674992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).