N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

C9H11ClF3N3 — CID 104513658

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)5-7-3-4-8(10)15-14-7/h3-4H,2,5-6H2,1H3
InChIKeyLXESBMIVQJXHCB-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.51
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 104513658) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID104513658
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1ccc(Cl)nn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)5-7-3-4-8(10)15-14-7/h3-4H,2,5-6H2,1H3
InChIKeyLXESBMIVQJXHCB-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.51
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]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 104513658) is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1ccc(Cl)nn1)CC(F)(F)F.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is LXESBMIVQJXHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)5-7-3-4-8(10)15-14-7/h3-4H,2,5-6H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 253.65 g/mol, XLogP of 2.51, 4 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]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 104513658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).