2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine

C18H10F8N4 — CID 142482715

IUPAC2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
SMILESFc1cc(C(F)(F)F)ccc1Nc1nccnc1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C18H10F8N4/c19-11-7-9(17(21,22)23)1-3-13(11)29-15-16(28-6-5-27-15)30-14-4-2-10(8-12(14)20)18(24,25)26/h1-8H,(H,27,29)(H,28,30)
InChIKeyMSCPXPSYMXKPHL-UHFFFAOYSA-N
MW434.29 g/mol
LogP6.28
Rot. Bonds4

About 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine

2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine (PubChem CID 142482715) has the molecular formula C18H10F8N4 and a molecular weight of 434.29 g/mol. Its IUPAC name is 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
PubChem CID142482715
Molecular FormulaC18H10F8N4
Molecular Weight434.29 g/mol
Exact Mass434.08
IUPAC Name2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine
SMILESFc1cc(C(F)(F)F)ccc1Nc1nccnc1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C18H10F8N4/c19-11-7-9(17(21,22)23)1-3-13(11)29-15-16(28-6-5-27-15)30-14-4-2-10(8-12(14)20)18(24,25)26/h1-8H,(H,27,29)(H,28,30)
InChIKeyMSCPXPSYMXKPHL-UHFFFAOYSA-N
XLogP6.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine (CID 142482715) is 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine is Fc1cc(C(F)(F)F)ccc1Nc1nccnc1Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
The InChIKey is MSCPXPSYMXKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F8N4/c19-11-7-9(17(21,22)23)1-3-13(11)29-15-16(28-6-5-27-15)30-14-4-2-10(8-12(14)20)18(24,25)26/h1-8H,(H,27,29)(H,28,30).
What are the key properties of 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine?
2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine has a molecular weight of 434.29 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]pyrazine-2,3-diamine is sourced from PubChem (CID 142482715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).