3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine

C11H21F3N2O — CID 114830332

IUPAC3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H21F3N2O/c1-4-17-8-5-10(15,9(8,2)3)6-16-7-11(12,13)14/h8,16H,4-7,15H2,1-3H3
InChIKeyQWTSFKPGGXUVED-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.67
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine (PubChem CID 114830332) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine
PubChem CID114830332
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CNCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H21F3N2O/c1-4-17-8-5-10(15,9(8,2)3)6-16-7-11(12,13)14/h8,16H,4-7,15H2,1-3H3
InChIKeyQWTSFKPGGXUVED-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine with MolForge

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Related Compounds

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
3-ethoxy-2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 65169660
3-ethoxy-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 65170651
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]propan-2-amine
CID 65194564
4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378224
N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66349871
2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66350085
2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66350306
2-ethyl-2-methyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66350307
N-ethyl-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66350973
N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66351185

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine (CID 114830332) is 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine is CCOC1CC(N)(CNCC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine?
The InChIKey is QWTSFKPGGXUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-4-17-8-5-10(15,9(8,2)3)6-16-7-11(12,13)14/h8,16H,4-7,15H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).