6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine

C12H9F4N3 — CID 107290472

IUPAC6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2ccc(C(F)(F)F)c(F)c2)nn1
InChIInChI=1S/C12H9F4N3/c1-17-11-5-4-10(18-19-11)7-2-3-8(9(13)6-7)12(14,15)16/h2-6H,1H3,(H,17,19)
InChIKeyDGQLXPLHELODBE-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.34
Rot. Bonds2

About 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine

6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine (PubChem CID 107290472) has the molecular formula C12H9F4N3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
PubChem CID107290472
Molecular FormulaC12H9F4N3
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2ccc(C(F)(F)F)c(F)c2)nn1
InChIInChI=1S/C12H9F4N3/c1-17-11-5-4-10(18-19-11)7-2-3-8(9(13)6-7)12(14,15)16/h2-6H,1H3,(H,17,19)
InChIKeyDGQLXPLHELODBE-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine?
The IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine (CID 107290472) is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine?
The canonical SMILES for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine is CNc1ccc(-c2ccc(C(F)(F)F)c(F)c2)nn1.
What is the InChIKey of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine?
The InChIKey is DGQLXPLHELODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3/c1-17-11-5-4-10(18-19-11)7-2-3-8(9(13)6-7)12(14,15)16/h2-6H,1H3,(H,17,19).
What are the key properties of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine?
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine has a molecular weight of 271.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 107290472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).