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

C9H16F3NO — CID 63912250

IUPAC1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO/c1-2-13-8(7-3-4-7)5-14-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyBTZBNENMVNBEBR-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds6

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

1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63912250) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63912250
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NO/c1-2-13-8(7-3-4-7)5-14-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyBTZBNENMVNBEBR-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63912250) is 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is BTZBNENMVNBEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-13-8(7-3-4-7)5-14-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63912250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).