2-methylsulfinyl-6-(trifluoromethyl)quinoxaline

C10H7F3N2OS — CID 117063180

IUPAC2-methylsulfinyl-6-(trifluoromethyl)quinoxaline
SMILESCS(=O)c1cnc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C10H7F3N2OS/c1-17(16)9-5-14-8-4-6(10(11,12)13)2-3-7(8)15-9/h2-5H,1H3
InChIKeyPSOUAZGOCRDCLK-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.39
Rot. Bonds1

About 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline

2-methylsulfinyl-6-(trifluoromethyl)quinoxaline (PubChem CID 117063180) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-methylsulfinyl-6-(trifluoromethyl)quinoxaline
PubChem CID117063180
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name2-methylsulfinyl-6-(trifluoromethyl)quinoxaline
SMILESCS(=O)c1cnc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C10H7F3N2OS/c1-17(16)9-5-14-8-4-6(10(11,12)13)2-3-7(8)15-9/h2-5H,1H3
InChIKeyPSOUAZGOCRDCLK-UHFFFAOYSA-N
XLogP2.39
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-6-(trifluoromethyl)quinoxaline
CID 71379300
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
3-(chloromethyl)-7-(trifluoromethyl)quinoline
CID 86719502
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
6-(trifluoromethyl)-1,4-benzoxazin-2-one
CID 154423234
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
2-(3-methylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 66879671
16-methyl-6,27-bis(trifluoromethyl)-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene
CID 126608669
3-methylsulfonyl-7-(trifluoromethyl)-1,2,4-benzotriazine
CID 56616351
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
4-methyl-7-(trifluoromethyl)quinolin-3-ol
CID 105484353

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline (CID 117063180) is 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline is CS(=O)c1cnc2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline?
The InChIKey is PSOUAZGOCRDCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c1-17(16)9-5-14-8-4-6(10(11,12)13)2-3-7(8)15-9/h2-5H,1H3.
What are the key properties of 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline?
2-methylsulfinyl-6-(trifluoromethyl)quinoxaline has a molecular weight of 260.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 117063180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).