3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine

C14H9F3N4 — CID 102986358

IUPAC3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H9F3N4/c15-7-5-9(17)12(6-8(7)16)21-14-13(18)19-10-3-1-2-4-11(10)20-14/h1-6H,(H2,18,19)(H,20,21)
InChIKeySWXRXDYLYGIHLH-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.37
Rot. Bonds2

About 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine

3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine (PubChem CID 102986358) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
PubChem CID102986358
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H9F3N4/c15-7-5-9(17)12(6-8(7)16)21-14-13(18)19-10-3-1-2-4-11(10)20-14/h1-6H,(H2,18,19)(H,20,21)
InChIKeySWXRXDYLYGIHLH-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
CID 102986610
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine
CID 55129899
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
3-N-(3-iodophenyl)quinoxaline-2,3-diamine
CID 102985385
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
3-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoxaline-2,3-diamine
CID 102986205
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232
3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102751000

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine (CID 102986358) is 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1Nc1cc(F)c(F)cc1F.
What is the InChIKey of 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine?
The InChIKey is SWXRXDYLYGIHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-7-5-9(17)12(6-8(7)16)21-14-13(18)19-10-3-1-2-4-11(10)20-14/h1-6H,(H2,18,19)(H,20,21).
What are the key properties of 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine?
3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine has a molecular weight of 290.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102986358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).