N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine

C9H12F3N3 — CID 66206382

IUPACN-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine
SMILESCCNC(C)(c1cnccn1)C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-3-15-8(2,9(10,11)12)7-6-13-4-5-14-7/h4-6,15H,3H2,1-2H3
InChIKeyWWBNNWJBQJZHGA-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.86
Rot. Bonds3

About N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine

N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine (PubChem CID 66206382) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine
PubChem CID66206382
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine
SMILESCCNC(C)(c1cnccn1)C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-3-15-8(2,9(10,11)12)7-6-13-4-5-14-7/h4-6,15H,3H2,1-2H3
InChIKeyWWBNNWJBQJZHGA-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine (CID 66206382) is N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine is CCNC(C)(c1cnccn1)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine?
The InChIKey is WWBNNWJBQJZHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-3-15-8(2,9(10,11)12)7-6-13-4-5-14-7/h4-6,15H,3H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine?
N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine has a molecular weight of 219.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-2-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 66206382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).