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

C12H22F3NO2 — CID 64850373

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO2/c1-4-18-10-7-9(11(10,2)3)16-5-6-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyDBPODOKBZAQWFR-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds7

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

3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (PubChem CID 64850373) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
PubChem CID64850373
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO2/c1-4-18-10-7-9(11(10,2)3)16-5-6-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyDBPODOKBZAQWFR-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
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

3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 114631990
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 79927147
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine
CID 114158581
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (CID 64850373) is 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is CCOC1CC(NCCOCC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The InChIKey is DBPODOKBZAQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-4-18-10-7-9(11(10,2)3)16-5-6-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.36, 7 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-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64850373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).