quinoxalin-2-amine;2,2,2-trifluoroacetic acid

C10H8F3N3O2 — CID 174627542

IUPACquinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1cnc2ccccc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H7N3.C2HF3O2/c9-8-5-10-6-3-1-2-4-7(6)11-8;3-2(4,5)1(6)7/h1-5H,(H2,9,11);(H,6,7)
InChIKeyPFMQOUNEVHFBIB-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.85
Rot. Bonds

About quinoxalin-2-amine;2,2,2-trifluoroacetic acid

quinoxalin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 174627542) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is quinoxalin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namequinoxalin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID174627542
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Namequinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1cnc2ccccc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H7N3.C2HF3O2/c9-8-5-10-6-3-1-2-4-7(6)11-8;3-2(4,5)1(6)7/h1-5H,(H2,9,11);(H,6,7)
InChIKeyPFMQOUNEVHFBIB-UHFFFAOYSA-N
XLogP1.85
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze quinoxalin-2-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;quinoxalin-2-amine
CID 174967362
6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 66724598
azane;quinoxalin-2-amine
CID 172829613
7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 66724631
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)
CID 172777614
pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 67551394
3-amino-1,5-benzodiazepin-2-one
CID 54546721
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
9-methylsulfanylacridine;2,2,2-trifluoroacetic acid
CID 71410508
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747

Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of quinoxalin-2-amine;2,2,2-trifluoroacetic acid (CID 174627542) is quinoxalin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for quinoxalin-2-amine;2,2,2-trifluoroacetic acid is Nc1cnc2ccccc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is PFMQOUNEVHFBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C2HF3O2/c9-8-5-10-6-3-1-2-4-7(6)11-8;3-2(4,5)1(6)7/h1-5H,(H2,9,11);(H,6,7).
What are the key properties of quinoxalin-2-amine;2,2,2-trifluoroacetic acid?
quinoxalin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 259.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174627542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).