1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine

C8H14F3NO — CID 103216407

IUPAC1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-4-7(12)6-2-1-3-6/h6-7H,1-5,12H2
InChIKeyURFMZLHDLNMKQR-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds4

About 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216407) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216407
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-4-7(12)6-2-1-3-6/h6-7H,1-5,12H2
InChIKeyURFMZLHDLNMKQR-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216407) is 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is URFMZLHDLNMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-13-4-7(12)6-2-1-3-6/h6-7H,1-5,12H2.
What are the key properties of 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).