2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine

C10H12ClF3N4 — CID 61361178

IUPAC2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESFC(F)(F)CN1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H12ClF3N4/c11-8-5-15-6-9(16-8)18-3-1-17(2-4-18)7-10(12,13)14/h5-6H,1-4,7H2
InChIKeyVZEMAYGDWZMUAH-UHFFFAOYSA-N
MW280.68 g/mol
LogP1.81
Rot. Bonds2

About 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine

2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (PubChem CID 61361178) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
PubChem CID61361178
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC Name2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESFC(F)(F)CN1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H12ClF3N4/c11-8-5-15-6-9(16-8)18-3-1-17(2-4-18)7-10(12,13)14/h5-6H,1-4,7H2
InChIKeyVZEMAYGDWZMUAH-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (CID 61361178) is 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is FC(F)(F)CN1CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The InChIKey is VZEMAYGDWZMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c11-8-5-15-6-9(16-8)18-3-1-17(2-4-18)7-10(12,13)14/h5-6H,1-4,7H2.
What are the key properties of 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine has a molecular weight of 280.68 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 61361178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).