3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine

C11H20F3NO2 — CID 103271276

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOC(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-16-9-7-8(10(9,2)3)15-5-6-17-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyCWSICNUXMCSEGS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.32
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine (PubChem CID 103271276) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine
PubChem CID103271276
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOC(F)(F)F)C1(C)C
InChIInChI=1S/C11H20F3NO2/c1-4-16-9-7-8(10(9,2)3)15-5-6-17-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyCWSICNUXMCSEGS-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245457
4,4-Dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169759866
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850406
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 64851107
3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 64852129
2,2-dimethyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 64852163
2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 64853307
7,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862960
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine
CID 64865232
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
CID 65169613

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine (CID 103271276) is 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine is CCOC1CC(NCCOC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine?
The InChIKey is CWSICNUXMCSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-16-9-7-8(10(9,2)3)15-5-6-17-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103271276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).