2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

C12H22F3NO2 — CID 82712250

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NOCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO2/c1-8(2)6-17-10-5-9(11(10,3)4)16-18-7-12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyUTFQHEWFLPERMJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.91
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 82712250) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID82712250
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NOCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO2/c1-8(2)6-17-10-5-9(11(10,3)4)16-18-7-12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyUTFQHEWFLPERMJ-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 82712250) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CC(C)COC1CC(NOCC(F)(F)F)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is UTFQHEWFLPERMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-8(2)6-17-10-5-9(11(10,3)4)16-18-7-12(13,14)15/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 82712250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).