2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine

C9H9F5N2 — CID 70343816

IUPAC2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine
SMILESCc1cnc(C(F)(F)CCC(F)(F)F)cn1
InChIInChI=1S/C9H9F5N2/c1-6-4-16-7(5-15-6)8(10,11)2-3-9(12,13)14/h4-5H,2-3H2,1H3
InChIKeyWIPYWQIQUZCOND-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine

2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine (PubChem CID 70343816) has the molecular formula C9H9F5N2 and a molecular weight of 240.17 g/mol. Its IUPAC name is 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine.

Molecular Properties

Compound Name2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine
PubChem CID70343816
Molecular FormulaC9H9F5N2
Molecular Weight240.17 g/mol
Exact Mass240.07
IUPAC Name2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine
SMILESCc1cnc(C(F)(F)CCC(F)(F)F)cn1
InChIInChI=1S/C9H9F5N2/c1-6-4-16-7(5-15-6)8(10,11)2-3-9(12,13)14/h4-5H,2-3H2,1H3
InChIKeyWIPYWQIQUZCOND-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

2-Ethyl-5-methylpyrazine
CID 25915
2-Ethyl-6-methylpyrazine
CID 26332
5-Ethyl-2,3-dimethylpyrazine
CID 27460
2-Methyl-3-propylpyrazine
CID 85224
Propylpyrazine
CID 87466
Pyrazine, 2,5-diethyl-
CID 25797
2-Butyl-3-methylpyrazine
CID 85228
2,6-Diethylpyrazine
CID 83101
3,5-Dimethyl-2-propylpyrazine
CID 122594
2-Methyl-5-propylpyrazine
CID 122383
Pyrazine, (2-methylpropyl)-
CID 34591
Pentylpyrazine
CID 80551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine?
The IUPAC name of 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine (CID 70343816) is 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine.
What is the SMILES notation for 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine?
The canonical SMILES for 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine is Cc1cnc(C(F)(F)CCC(F)(F)F)cn1.
What is the InChIKey of 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine?
The InChIKey is WIPYWQIQUZCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2/c1-6-4-16-7(5-15-6)8(10,11)2-3-9(12,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine?
2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine has a molecular weight of 240.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,1,4,4,4-pentafluorobutyl)pyrazine is sourced from PubChem (CID 70343816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).