1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C8H14F3NO — CID 63912252

IUPAC1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c1-12-7(6-2-3-6)4-13-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyZRCIJIXMRCZBDJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds5

About 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63912252) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63912252
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO/c1-12-7(6-2-3-6)4-13-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyZRCIJIXMRCZBDJ-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63912252) is 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZRCIJIXMRCZBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-7(6-2-3-6)4-13-5-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63912252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).