N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

C8H9ClF3N3 — CID 104513554

IUPACN-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-15(5-8(10,11)12)4-6-2-3-7(9)14-13-6/h2-3H,4-5H2,1H3
InChIKeyRNSMFLHNMPRBHU-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.12
Rot. Bonds3

About N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 104513554) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID104513554
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-15(5-8(10,11)12)4-6-2-3-7(9)14-13-6/h2-3H,4-5H2,1H3
InChIKeyRNSMFLHNMPRBHU-UHFFFAOYSA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 104513554) is N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is CN(Cc1ccc(Cl)nn1)CC(F)(F)F.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is RNSMFLHNMPRBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-15(5-8(10,11)12)4-6-2-3-7(9)14-13-6/h2-3H,4-5H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 239.63 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 104513554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).