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

C11H14ClF3N4 — CID 66466646

IUPAC2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESFC(F)(F)CN1CCN(c2cncc(CCl)n2)CC1
InChIInChI=1S/C11H14ClF3N4/c12-5-9-6-16-7-10(17-9)19-3-1-18(2-4-19)8-11(13,14)15/h6-7H,1-5,8H2
InChIKeyMOBWVHIPGHAFOC-UHFFFAOYSA-N
MW294.71 g/mol
LogP1.90
Rot. Bonds3

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

2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (PubChem CID 66466646) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
PubChem CID66466646
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESFC(F)(F)CN1CCN(c2cncc(CCl)n2)CC1
InChIInChI=1S/C11H14ClF3N4/c12-5-9-6-16-7-10(17-9)19-3-1-18(2-4-19)8-11(13,14)15/h6-7H,1-5,8H2
InChIKeyMOBWVHIPGHAFOC-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (CID 66466646) is 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is FC(F)(F)CN1CCN(c2cncc(CCl)n2)CC1.
What is the InChIKey of 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The InChIKey is MOBWVHIPGHAFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c12-5-9-6-16-7-10(17-9)19-3-1-18(2-4-19)8-11(13,14)15/h6-7H,1-5,8H2.
What are the key properties of 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine has a molecular weight of 294.71 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 66466646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).