3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C11H20F3NO — CID 65170651

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C1(C)CC
InChIInChI=1S/C11H20F3NO/c1-4-10(3)8(6-9(10)16-5-2)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyAVPUXSPAOHNIKE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 65170651) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID65170651
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C1(C)CC
InChIInChI=1S/C11H20F3NO/c1-4-10(3)8(6-9(10)16-5-2)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyAVPUXSPAOHNIKE-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 65170651) is 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CCOC1CC(NCC(F)(F)F)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is AVPUXSPAOHNIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-10(3)8(6-9(10)16-5-2)15-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 65170651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).