N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine

C16H9F6N3 — CID 59113307

IUPACN-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESFC(F)(F)c1cc(Nc2cnc3ccccc3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6N3/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-14-8-23-12-3-1-2-4-13(12)25-14/h1-8H,(H,24,25)
InChIKeyRYDGGEAJLVEQDA-UHFFFAOYSA-N
MW357.26 g/mol
LogP5.41
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine

N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine (PubChem CID 59113307) has the molecular formula C16H9F6N3 and a molecular weight of 357.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine
PubChem CID59113307
Molecular FormulaC16H9F6N3
Molecular Weight357.26 g/mol
Exact Mass357.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESFC(F)(F)c1cc(Nc2cnc3ccccc3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6N3/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-14-8-23-12-3-1-2-4-13(12)25-14/h1-8H,(H,24,25)
InChIKeyRYDGGEAJLVEQDA-UHFFFAOYSA-N
XLogP5.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine (CID 59113307) is N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine is FC(F)(F)c1cc(Nc2cnc3ccccc3n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine?
The InChIKey is RYDGGEAJLVEQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-14-8-23-12-3-1-2-4-13(12)25-14/h1-8H,(H,24,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine?
N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine has a molecular weight of 357.26 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 59113307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).