[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone

C13H9F3N2O — CID 102752335

IUPAC[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cnccn1
InChIInChI=1S/C13H9F3N2O/c1-8-6-9(13(14,15)16)2-3-10(8)12(19)11-7-17-4-5-18-11/h2-7H,1H3
InChIKeyCJTGKTCOGLCEIS-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.03
Rot. Bonds2

About [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone

[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone (PubChem CID 102752335) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
PubChem CID102752335
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cnccn1
InChIInChI=1S/C13H9F3N2O/c1-8-6-9(13(14,15)16)2-3-10(8)12(19)11-7-17-4-5-18-11/h2-7H,1H3
InChIKeyCJTGKTCOGLCEIS-UHFFFAOYSA-N
XLogP3.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
CID 106864959
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752678
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
CID 82820337
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
CID 82685218
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide
CID 171924517

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone (CID 102752335) is [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1cnccn1.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone?
The InChIKey is CJTGKTCOGLCEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-8-6-9(13(14,15)16)2-3-10(8)12(19)11-7-17-4-5-18-11/h2-7H,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone?
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone has a molecular weight of 266.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 102752335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).