2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine

C7H10F3N3 — CID 61462580

IUPAC2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESFC(F)(F)CNCCn1cccn1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)6-11-3-5-13-4-1-2-12-13/h1-2,4,11H,3,5-6H2
InChIKeyVGKURSDMGKOEPT-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.03
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine

2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 61462580) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID61462580
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESFC(F)(F)CNCCn1cccn1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)6-11-3-5-13-4-1-2-12-13/h1-2,4,11H,3,5-6H2
InChIKeyVGKURSDMGKOEPT-UHFFFAOYSA-N
XLogP1.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine (CID 61462580) is 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine is FC(F)(F)CNCCn1cccn1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is VGKURSDMGKOEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)6-11-3-5-13-4-1-2-12-13/h1-2,4,11H,3,5-6H2.
What are the key properties of 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine?
2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 193.17 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 61462580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).