6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine

C11H7F4N3 — CID 107290545

IUPAC6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1cncc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H7F4N3/c12-8-2-1-6(3-7(8)11(13,14)15)9-4-17-5-10(16)18-9/h1-5H,(H2,16,18)
InChIKeyDCTGHJDFAPZKOV-UHFFFAOYSA-N
MW257.19 g/mol
LogP2.88
Rot. Bonds1

About 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine

6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 107290545) has the molecular formula C11H7F4N3 and a molecular weight of 257.19 g/mol. Its IUPAC name is 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID107290545
Molecular FormulaC11H7F4N3
Molecular Weight257.19 g/mol
Exact Mass257.06
IUPAC Name6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1cncc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H7F4N3/c12-8-2-1-6(3-7(8)11(13,14)15)9-4-17-5-10(16)18-9/h1-5H,(H2,16,18)
InChIKeyDCTGHJDFAPZKOV-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 107290545) is 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine is Nc1cncc(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is DCTGHJDFAPZKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3/c12-8-2-1-6(3-7(8)11(13,14)15)9-4-17-5-10(16)18-9/h1-5H,(H2,16,18).
What are the key properties of 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 257.19 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 107290545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).