N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine

C16H11F3N4 — CID 6105128

IUPACN-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFC(F)(F)c1nc2ccccc2nc1N/N=C\c1ccccc1
InChIInChI=1S/C16H11F3N4/c17-16(18,19)14-15(22-13-9-5-4-8-12(13)21-14)23-20-10-11-6-2-1-3-7-11/h1-10H,(H,22,23)/b20-10-
InChIKeyFVGXEYBPNYNLRK-JMIUGGIZSA-N
MW316.29 g/mol
LogP4.09
Rot. Bonds3

About N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine

N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (PubChem CID 6105128) has the molecular formula C16H11F3N4 and a molecular weight of 316.29 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
PubChem CID6105128
Molecular FormulaC16H11F3N4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC NameN-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFC(F)(F)c1nc2ccccc2nc1N/N=C\c1ccccc1
InChIInChI=1S/C16H11F3N4/c17-16(18,19)14-15(22-13-9-5-4-8-12(13)21-14)23-20-10-11-6-2-1-3-7-11/h1-10H,(H,22,23)/b20-10-
InChIKeyFVGXEYBPNYNLRK-JMIUGGIZSA-N
XLogP4.09
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The IUPAC name of N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (CID 6105128) is N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.
What is the SMILES notation for N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The canonical SMILES for N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is FC(F)(F)c1nc2ccccc2nc1N/N=C\c1ccccc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The InChIKey is FVGXEYBPNYNLRK-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H11F3N4/c17-16(18,19)14-15(22-13-9-5-4-8-12(13)21-14)23-20-10-11-6-2-1-3-7-11/h1-10H,(H,22,23)/b20-10-.
What are the key properties of N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine has a molecular weight of 316.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is sourced from PubChem (CID 6105128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).