4,4,4-trifluoro-N-pyrazin-2-ylbutanamide

C8H8F3N3O — CID 75508760

IUPAC4,4,4-trifluoro-N-pyrazin-2-ylbutanamide
SMILESO=C(CCC(F)(F)F)Nc1cnccn1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)2-1-7(15)14-6-5-12-3-4-13-6/h3-5H,1-2H2,(H,13,14,15)
InChIKeyIHAKTTZWIIJHRD-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.76
Rot. Bonds3

About 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide

4,4,4-trifluoro-N-pyrazin-2-ylbutanamide (PubChem CID 75508760) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-pyrazin-2-ylbutanamide
PubChem CID75508760
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name4,4,4-trifluoro-N-pyrazin-2-ylbutanamide
SMILESO=C(CCC(F)(F)F)Nc1cnccn1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)2-1-7(15)14-6-5-12-3-4-13-6/h3-5H,1-2H2,(H,13,14,15)
InChIKeyIHAKTTZWIIJHRD-UHFFFAOYSA-N
XLogP1.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide (CID 75508760) is 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide is O=C(CCC(F)(F)F)Nc1cnccn1.
What is the InChIKey of 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide?
The InChIKey is IHAKTTZWIIJHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)2-1-7(15)14-6-5-12-3-4-13-6/h3-5H,1-2H2,(H,13,14,15).
What are the key properties of 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide?
4,4,4-trifluoro-N-pyrazin-2-ylbutanamide has a molecular weight of 219.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-pyrazin-2-ylbutanamide is sourced from PubChem (CID 75508760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).