2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide

C6H4F3N3O — CID 75530032

IUPAC2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide
SMILESO=C(Nc1nccnc1F)C(F)F
InChIInChI=1S/C6H4F3N3O/c7-3(8)6(13)12-5-4(9)10-1-2-11-5/h1-3H,(H,11,12,13)
InChIKeyQHUDXDORASSQHD-UHFFFAOYSA-N
MW191.11 g/mol
LogP0.82
Rot. Bonds2

About 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide

2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide (PubChem CID 75530032) has the molecular formula C6H4F3N3O and a molecular weight of 191.11 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide
PubChem CID75530032
Molecular FormulaC6H4F3N3O
Molecular Weight191.11 g/mol
Exact Mass191.03
IUPAC Name2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide
SMILESO=C(Nc1nccnc1F)C(F)F
InChIInChI=1S/C6H4F3N3O/c7-3(8)6(13)12-5-4(9)10-1-2-11-5/h1-3H,(H,11,12,13)
InChIKeyQHUDXDORASSQHD-UHFFFAOYSA-N
XLogP0.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide (CID 75530032) is 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide is O=C(Nc1nccnc1F)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide?
The InChIKey is QHUDXDORASSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O/c7-3(8)6(13)12-5-4(9)10-1-2-11-5/h1-3H,(H,11,12,13).
What are the key properties of 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide?
2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide has a molecular weight of 191.11 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-fluoropyrazin-2-yl)acetamide is sourced from PubChem (CID 75530032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).