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

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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).