5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine

C18H13F4N3O — CID 90314102

IUPAC5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3OCC(F)(F)F)cc2F)cn1
InChIInChI=1S/C18H13F4N3O/c19-14-7-11(5-6-13(14)15-8-25-17(23)9-24-15)12-3-1-2-4-16(12)26-10-18(20,21)22/h1-9H,10H2,(H2,23,25)
InChIKeyAIINITHHVDCCCY-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.47
Rot. Bonds4

About 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine (PubChem CID 90314102) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine
PubChem CID90314102
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3OCC(F)(F)F)cc2F)cn1
InChIInChI=1S/C18H13F4N3O/c19-14-7-11(5-6-13(14)15-8-25-17(23)9-24-15)12-3-1-2-4-16(12)26-10-18(20,21)22/h1-9H,10H2,(H2,23,25)
InChIKeyAIINITHHVDCCCY-UHFFFAOYSA-N
XLogP4.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine (CID 90314102) is 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3OCC(F)(F)F)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine?
The InChIKey is AIINITHHVDCCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-14-7-11(5-6-13(14)15-8-25-17(23)9-24-15)12-3-1-2-4-16(12)26-10-18(20,21)22/h1-9H,10H2,(H2,23,25).
What are the key properties of 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine has a molecular weight of 363.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 90314102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).