2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine

C12H11F3N2 — CID 143563964

IUPAC2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine
SMILESCc1cncc(C2=CCC(C(F)(F)F)C=C2)n1
InChIInChI=1S/C12H11F3N2/c1-8-6-16-7-11(17-8)9-2-4-10(5-3-9)12(13,14)15/h2-4,6-7,10H,5H2,1H3
InChIKeyYWFVQDMAFGWIOC-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.31
Rot. Bonds1

About 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine

2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine (PubChem CID 143563964) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine
PubChem CID143563964
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine
SMILESCc1cncc(C2=CCC(C(F)(F)F)C=C2)n1
InChIInChI=1S/C12H11F3N2/c1-8-6-16-7-11(17-8)9-2-4-10(5-3-9)12(13,14)15/h2-4,6-7,10H,5H2,1H3
InChIKeyYWFVQDMAFGWIOC-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1E)-prop-1-en-1-yl]pyrazine
CID 5370825
2-Methyl-6-(1-propenyl)pyrazine
CID 5371945
2-Methyl-5-(1-propenyl)pyrazine
CID 5371946
3,5-Dimethyl-2-(1-propenyl)pyrazine
CID 5371957
2-Ethenyl-3-ethyl-5-methylpyrazine
CID 6431144
2,5-Dimethyl-3-(1-propenyl)pyrazine
CID 5371955
2-(1-Methylethenyl)-5-(1-methylethyl)pyrazine
CID 11528402
2-Methyl-3-(1-propenyl)pyrazine
CID 5370730
2,3-Dimethyl-5-(1-propenyl)pyrazine
CID 5372953
5-Methyl-5H-cyclopenta[b]pyrazine
CID 23377482
2-Methyl-5-propenylpyrazine
CID 583830
3,5-Dimethyl-2-[(1Z)-1-propenyl]pyrazine
CID 21160520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine?
The IUPAC name of 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine (CID 143563964) is 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine.
What is the SMILES notation for 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine?
The canonical SMILES for 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine is Cc1cncc(C2=CCC(C(F)(F)F)C=C2)n1.
What is the InChIKey of 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine?
The InChIKey is YWFVQDMAFGWIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-6-16-7-11(17-8)9-2-4-10(5-3-9)12(13,14)15/h2-4,6-7,10H,5H2,1H3.
What are the key properties of 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine?
2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine has a molecular weight of 240.23 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine is sourced from PubChem (CID 143563964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).