N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

C9H16F3NO2 — CID 104674437

IUPACN-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCNC1CC(OCC(F)(F)F)C1OC
InChIInChI=1S/C9H16F3NO2/c1-3-13-6-4-7(8(6)14-2)15-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyTZAIELILFMDPID-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds5

About N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 104674437) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID104674437
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCNC1CC(OCC(F)(F)F)C1OC
InChIInChI=1S/C9H16F3NO2/c1-3-13-6-4-7(8(6)14-2)15-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyTZAIELILFMDPID-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 104674437) is N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CCNC1CC(OCC(F)(F)F)C1OC.
What is the InChIKey of N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is TZAIELILFMDPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-3-13-6-4-7(8(6)14-2)15-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 104674437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).