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

C10H12F3NO — CID 16785360

IUPAC1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2
InChIKeyZQCGETVTCRYVPX-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.27
Rot. Bonds4

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

1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 16785360) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID16785360
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2
InChIKeyZQCGETVTCRYVPX-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 16785360) is 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZQCGETVTCRYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2.
What are the key properties of 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 16785360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).