[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone

C14H11F3N2O — CID 174991278

IUPAC[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone
SMILESCc1nc(C(F)(F)F)c(C)nc1C(=O)c1ccccc1
InChIInChI=1S/C14H11F3N2O/c1-8-11(12(20)10-6-4-3-5-7-10)18-9(2)13(19-8)14(15,16)17/h3-7H,1-2H3
InChIKeyJSLAHLDCQSAIKG-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.34
Rot. Bonds2

About [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone

[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone (PubChem CID 174991278) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone
PubChem CID174991278
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone
SMILESCc1nc(C(F)(F)F)c(C)nc1C(=O)c1ccccc1
InChIInChI=1S/C14H11F3N2O/c1-8-11(12(20)10-6-4-3-5-7-10)18-9(2)13(19-8)14(15,16)17/h3-7H,1-2H3
InChIKeyJSLAHLDCQSAIKG-UHFFFAOYSA-N
XLogP3.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
CID 619716
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
(4-methylphenyl)-[3-(trifluoromethyl)benzo[g]quinoxalin-2-yl]methanone
CID 138115667
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
4-methyl-1-(trifluoromethyl)isoquinoline-3-carboxylic acid
CID 162620913
2,2-dimethylpropane;diphenylmethanone
CID 159191976
diphenylmethanone;ethane
CID 158014879
N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 30224738
methanol;toluene;2,2,2-trifluoroacetic acid
CID 175547904
diphenylmethanone
CID 3102
CID 161391832
CID 161391832

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone?
The IUPAC name of [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone (CID 174991278) is [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone.
What is the SMILES notation for [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone?
The canonical SMILES for [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone is Cc1nc(C(F)(F)F)c(C)nc1C(=O)c1ccccc1.
What is the InChIKey of [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone?
The InChIKey is JSLAHLDCQSAIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-8-11(12(20)10-6-4-3-5-7-10)18-9(2)13(19-8)14(15,16)17/h3-7H,1-2H3.
What are the key properties of [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone?
[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone has a molecular weight of 280.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone is sourced from PubChem (CID 174991278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).