6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline

C14H13Cl2F3N2OS — CID 142006574

IUPAC6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline
SMILESCC(C)CCS(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F
InChIInChI=1S/C14H13Cl2F3N2OS/c1-7(2)3-4-23(22)13-12(14(17,18)19)20-10-5-8(15)9(16)6-11(10)21-13/h5-7H,3-4H2,1-2H3
InChIKeyOZVCVAZFXBFLTR-UHFFFAOYSA-N
MW385.24 g/mol
LogP5.11
Rot. Bonds4

About 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline

6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline (PubChem CID 142006574) has the molecular formula C14H13Cl2F3N2OS and a molecular weight of 385.24 g/mol. Its IUPAC name is 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline
PubChem CID142006574
Molecular FormulaC14H13Cl2F3N2OS
Molecular Weight385.24 g/mol
Exact Mass384.01
IUPAC Name6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline
SMILESCC(C)CCS(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F
InChIInChI=1S/C14H13Cl2F3N2OS/c1-7(2)3-4-23(22)13-12(14(17,18)19)20-10-5-8(15)9(16)6-11(10)21-13/h5-7H,3-4H2,1-2H3
InChIKeyOZVCVAZFXBFLTR-UHFFFAOYSA-N
XLogP5.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.24
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6,7-dichloro-3-(trifluoromethyl)quinoxalin-2-yl]hydrazine
CID 3410226
6,7-dichloro-2-[(4-methylsulfanylphenyl)methylsulfinyl]-3-propan-2-ylquinoxaline
CID 142006575
6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline
CID 22341201
tert-butyl N-[2-[6,7-dichloro-3-(trifluoromethyl)quinoxalin-2-yl]sulfonylethyl]carbamate
CID 22341187
6,7-dichloro-2-(2-methylpropyl)quinoxaline
CID 141430619
2-chloro-7-ethyl-6-methoxy-3-(trifluoromethyl)quinoxaline
CID 123460258
3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095
1-(2-chlorophenyl)-2-(3-methylbutylsulfinyl)ethanone
CID 107768059
5-chloro-2-(chloromethyl)-6-fluoro-1-(3-methylbutyl)benzimidazole
CID 66109616
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
CID 102715140
3-chloro-4-(4-methylpentylsulfinyl)aniline
CID 83162926

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline (CID 142006574) is 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline is CC(C)CCS(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F.
What is the InChIKey of 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline?
The InChIKey is OZVCVAZFXBFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F3N2OS/c1-7(2)3-4-23(22)13-12(14(17,18)19)20-10-5-8(15)9(16)6-11(10)21-13/h5-7H,3-4H2,1-2H3.
What are the key properties of 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline?
6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline has a molecular weight of 385.24 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(3-methylbutylsulfinyl)-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 142006574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).