[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine

C12H9F4N3 — CID 144826575

IUPAC[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
SMILESNCc1cc(F)cc(-c2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C12H9F4N3/c13-9-4-7(6-17)3-8(5-9)10-1-2-11(19-18-10)12(14,15)16/h1-5H,6,17H2
InChIKeyPUGCPPWUDWGCRF-UHFFFAOYSA-N
MW271.22 g/mol
LogP2.76
Rot. Bonds2

About [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine

[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine (PubChem CID 144826575) has the molecular formula C12H9F4N3 and a molecular weight of 271.22 g/mol. Its IUPAC name is [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
PubChem CID144826575
Molecular FormulaC12H9F4N3
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
SMILESNCc1cc(F)cc(-c2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C12H9F4N3/c13-9-4-7(6-17)3-8(5-9)10-1-2-11(19-18-10)12(14,15)16/h1-5H,6,17H2
InChIKeyPUGCPPWUDWGCRF-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine (CID 144826575) is [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine is NCc1cc(F)cc(-c2ccc(C(F)(F)F)nn2)c1.
What is the InChIKey of [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
The InChIKey is PUGCPPWUDWGCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3/c13-9-4-7(6-17)3-8(5-9)10-1-2-11(19-18-10)12(14,15)16/h1-5H,6,17H2.
What are the key properties of [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine has a molecular weight of 271.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine is sourced from PubChem (CID 144826575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).