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

C9H14ClF3N2 — CID 142524506

IUPAC2-chloro-5-(trifluoromethyl)pyrazine;ethane
SMILESCC.CC.FC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2.2C2H6/c6-4-2-10-3(1-11-4)5(7,8)9;2*1-2/h1-2H;2*1-2H3
InChIKeyBDTONSBOVLYZKI-UHFFFAOYSA-N
MW242.67 g/mol
LogP4.20
Rot. Bonds

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

2-chloro-5-(trifluoromethyl)pyrazine;ethane (PubChem CID 142524506) has the molecular formula C9H14ClF3N2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)pyrazine;ethane.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)pyrazine;ethane
PubChem CID142524506
Molecular FormulaC9H14ClF3N2
Molecular Weight242.67 g/mol
Exact Mass242.08
IUPAC Name2-chloro-5-(trifluoromethyl)pyrazine;ethane
SMILESCC.CC.FC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2.2C2H6/c6-4-2-10-3(1-11-4)5(7,8)9;2*1-2/h1-2H;2*1-2H3
InChIKeyBDTONSBOVLYZKI-UHFFFAOYSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-(trifluoromethyl)pyrazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 142524506) 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.CC.FC(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)pyrazine;ethane?
The InChIKey is BDTONSBOVLYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2.2C2H6/c6-4-2-10-3(1-11-4)5(7,8)9;2*1-2/h1-2H;2*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 242.67 g/mol, XLogP of 4.20, 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 142524506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).