6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine

C11H8F3N3O — CID 80647475

IUPAC6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine
SMILESNc1cncc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-4-8(7)18-10-6-16-5-9(15)17-10/h1-6H,(H2,15,17)
InChIKeyIBTGPTFIRDEWKW-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

About 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine

6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine (PubChem CID 80647475) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine
PubChem CID80647475
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine
SMILESNc1cncc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-4-8(7)18-10-6-16-5-9(15)17-10/h1-6H,(H2,15,17)
InChIKeyIBTGPTFIRDEWKW-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine?
The IUPAC name of 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine (CID 80647475) is 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine.
What is the SMILES notation for 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine?
The canonical SMILES for 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine is Nc1cncc(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine?
The InChIKey is IBTGPTFIRDEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-4-8(7)18-10-6-16-5-9(15)17-10/h1-6H,(H2,15,17).
What are the key properties of 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine?
6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine has a molecular weight of 255.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 80647475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).