2-chloro-5-(trifluoromethyl)pyrazine;ethane

C7H8ClF3N2 — CID 144826305

IUPAC2-chloro-5-(trifluoromethyl)pyrazine;ethane
SMILESCC.FC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2.C2H6/c6-4-2-10-3(1-11-4)5(7,8)9;1-2/h1-2H;1-2H3
InChIKeyYPVOKERQRGONFG-UHFFFAOYSA-N
MW212.60 g/mol
LogP3.17
Rot. Bonds

About 2-chloro-5-(trifluoromethyl)pyrazine;ethane

2-chloro-5-(trifluoromethyl)pyrazine;ethane (PubChem CID 144826305) has the molecular formula C7H8ClF3N2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)pyrazine;ethane.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)pyrazine;ethane
PubChem CID144826305
Molecular FormulaC7H8ClF3N2
Molecular Weight212.60 g/mol
Exact Mass212.03
IUPAC Name2-chloro-5-(trifluoromethyl)pyrazine;ethane
SMILESCC.FC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2.C2H6/c6-4-2-10-3(1-11-4)5(7,8)9;1-2/h1-2H;1-2H3
InChIKeyYPVOKERQRGONFG-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)pyrazine;ethane?
The IUPAC name of 2-chloro-5-(trifluoromethyl)pyrazine;ethane (CID 144826305) is 2-chloro-5-(trifluoromethyl)pyrazine;ethane.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)pyrazine;ethane?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)pyrazine;ethane is CC.FC(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)pyrazine;ethane?
The InChIKey is YPVOKERQRGONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2.C2H6/c6-4-2-10-3(1-11-4)5(7,8)9;1-2/h1-2H;1-2H3.
What are the key properties of 2-chloro-5-(trifluoromethyl)pyrazine;ethane?
2-chloro-5-(trifluoromethyl)pyrazine;ethane has a molecular weight of 212.60 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)pyrazine;ethane is sourced from PubChem (CID 144826305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).