2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine

C6H7F3N2 — CID 82280266

IUPAC2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
SMILESNC(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5,11H,10H2
InChIKeyLHTBNGDFLYZIQU-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.58
Rot. Bonds1

About 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine

2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine (PubChem CID 82280266) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
PubChem CID82280266
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
SMILESNC(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5,11H,10H2
InChIKeyLHTBNGDFLYZIQU-UHFFFAOYSA-N
XLogP1.58
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine (CID 82280266) is 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine is NC(c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is LHTBNGDFLYZIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)5(10)4-1-2-11-3-4/h1-3,5,11H,10H2.
What are the key properties of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine?
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 164.13 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 82280266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).