N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide

C8H7ClF3N3O — CID 102989167

IUPACN-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1nccnc1Cl
InChIInChI=1S/C8H7ClF3N3O/c9-6-7(14-4-3-13-6)15-5(16)1-2-8(10,11)12/h3-4H,1-2H2,(H,14,15,16)
InChIKeyZIZPLQLMXXRHOO-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.41
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide

N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide (PubChem CID 102989167) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide
PubChem CID102989167
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC NameN-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1nccnc1Cl
InChIInChI=1S/C8H7ClF3N3O/c9-6-7(14-4-3-13-6)15-5(16)1-2-8(10,11)12/h3-4H,1-2H2,(H,14,15,16)
InChIKeyZIZPLQLMXXRHOO-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide (CID 102989167) is N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide?
The InChIKey is ZIZPLQLMXXRHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c9-6-7(14-4-3-13-6)15-5(16)1-2-8(10,11)12/h3-4H,1-2H2,(H,14,15,16).
What are the key properties of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide?
N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide has a molecular weight of 253.61 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 102989167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).