2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline

C17H11BrClF3N2 — CID 174610031

IUPAC2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline
SMILESCC(Br)c1nc2cccc(C(F)(F)F)c2nc1-c1ccccc1Cl
InChIInChI=1S/C17H11BrClF3N2/c1-9(18)14-15(10-5-2-3-7-12(10)19)24-16-11(17(20,21)22)6-4-8-13(16)23-14/h2-9H,1H3
InChIKeyCCVNMFRLNZFRRS-UHFFFAOYSA-N
MW415.64 g/mol
LogP6.42
Rot. Bonds2

About 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline

2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline (PubChem CID 174610031) has the molecular formula C17H11BrClF3N2 and a molecular weight of 415.64 g/mol. Its IUPAC name is 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline
PubChem CID174610031
Molecular FormulaC17H11BrClF3N2
Molecular Weight415.64 g/mol
Exact Mass413.97
IUPAC Name2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline
SMILESCC(Br)c1nc2cccc(C(F)(F)F)c2nc1-c1ccccc1Cl
InChIInChI=1S/C17H11BrClF3N2/c1-9(18)14-15(10-5-2-3-7-12(10)19)24-16-11(17(20,21)22)6-4-8-13(16)23-14/h2-9H,1H3
InChIKeyCCVNMFRLNZFRRS-UHFFFAOYSA-N
XLogP6.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.64
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methyl-5-(trifluoromethyl)quinoxaline;(2-chlorophenyl)boronic acid;3-(2-chlorophenyl)-2-methyl-5-(trifluoromethyl)quinoxaline;(NE)-N-ethylidenehydroxylamine
CID 172974582
5-chloro-3-(2-chlorophenyl)-N-methylquinoxalin-2-amine
CID 174610026
5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol
CID 158250214
1-(2-chlorophenyl)phenazine
CID 175026808
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
5-chloro-2-methyl-3-[2-(trifluoromethyl)phenyl]quinoxaline;3,5-dichloro-2-methylquinoxaline;2-hydroxyacetonitrile;[2-(trifluoromethyl)phenyl]boronic acid
CID 159233383
2-(bromomethyl)-5-chloro-3-[2-(trifluoromethyl)phenyl]quinoxaline;5-chloro-2-methyl-3-[2-(trifluoromethyl)phenyl]quinoxaline;1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
CID 158099881
4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 63612354
2-[2-chloro-5-(2-methylsulfonylphenoxy)phenyl]-3-methyl-5-(trifluoromethyl)quinoxaline
CID 59321603

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline (CID 174610031) is 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline is CC(Br)c1nc2cccc(C(F)(F)F)c2nc1-c1ccccc1Cl.
What is the InChIKey of 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline?
The InChIKey is CCVNMFRLNZFRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClF3N2/c1-9(18)14-15(10-5-2-3-7-12(10)19)24-16-11(17(20,21)22)6-4-8-13(16)23-14/h2-9H,1H3.
What are the key properties of 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline?
2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline has a molecular weight of 415.64 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 174610031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).