3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine

C15H8Cl2F3N3O — CID 177312599

IUPAC3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3c(Cl)cccc3nc2Cl)cc1
InChIInChI=1S/C15H8Cl2F3N3O/c16-10-2-1-3-11-12(10)23-14(13(17)22-11)21-8-4-6-9(7-5-8)24-15(18,19)20/h1-7H,(H,21,23)
InChIKeyADZRWGFLZMMLMA-UHFFFAOYSA-N
MW374.15 g/mol
LogP5.58
Rot. Bonds3

About 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine

3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine (PubChem CID 177312599) has the molecular formula C15H8Cl2F3N3O and a molecular weight of 374.15 g/mol. Its IUPAC name is 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
PubChem CID177312599
Molecular FormulaC15H8Cl2F3N3O
Molecular Weight374.15 g/mol
Exact Mass373.00
IUPAC Name3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3c(Cl)cccc3nc2Cl)cc1
InChIInChI=1S/C15H8Cl2F3N3O/c16-10-2-1-3-11-12(10)23-14(13(17)22-11)21-8-4-6-9(7-5-8)24-15(18,19)20/h1-7H,(H,21,23)
InChIKeyADZRWGFLZMMLMA-UHFFFAOYSA-N
XLogP5.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.15
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 177312697
2-chloro-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 89428713
8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
CID 177312715
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 155541028
3-N-[4-(trifluoromethoxy)phenyl]benzene-1,3-diamine
CID 43245746
5-N-[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155542
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689

Frequently Asked Questions

What is the IUPAC name of 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
The IUPAC name of 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine (CID 177312599) is 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
The canonical SMILES for 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine is FC(F)(F)Oc1ccc(Nc2nc3c(Cl)cccc3nc2Cl)cc1.
What is the InChIKey of 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
The InChIKey is ADZRWGFLZMMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3O/c16-10-2-1-3-11-12(10)23-14(13(17)22-11)21-8-4-6-9(7-5-8)24-15(18,19)20/h1-7H,(H,21,23).
What are the key properties of 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine?
3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine has a molecular weight of 374.15 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 177312599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).