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

C16H10F4N4 — CID 6040000

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFc1ccccc1/C=N\Nc1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C16H10F4N4/c17-11-6-2-1-5-10(11)9-21-24-15-14(16(18,19)20)22-12-7-3-4-8-13(12)23-15/h1-9H,(H,23,24)/b21-9-
InChIKeySKFRFRZDZGNKHS-NKVSQWTQSA-N
MW334.28 g/mol
LogP4.23
Rot. Bonds3

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

N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (PubChem CID 6040000) has the molecular formula C16H10F4N4 and a molecular weight of 334.28 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
PubChem CID6040000
Molecular FormulaC16H10F4N4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFc1ccccc1/C=N\Nc1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C16H10F4N4/c17-11-6-2-1-5-10(11)9-21-24-15-14(16(18,19)20)22-12-7-3-4-8-13(12)23-15/h1-9H,(H,23,24)/b21-9-
InChIKeySKFRFRZDZGNKHS-NKVSQWTQSA-N
XLogP4.23
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 54.23
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)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (CID 6040000) is N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is Fc1ccccc1/C=N\Nc1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The InChIKey is SKFRFRZDZGNKHS-NKVSQWTQSA-N. The full InChI is InChI=1S/C16H10F4N4/c17-11-6-2-1-5-10(11)9-21-24-15-14(16(18,19)20)22-12-7-3-4-8-13(12)23-15/h1-9H,(H,23,24)/b21-9-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine has a molecular weight of 334.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is sourced from PubChem (CID 6040000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).