N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine

C16H24F5N3 — CID 167042611

IUPACN-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCCC(CNc1ccc(C(F)(F)F)nn1)C(C)CC(F)(F)CC
InChIInChI=1S/C16H24F5N3/c1-4-6-12(11(3)9-15(17,18)5-2)10-22-14-8-7-13(23-24-14)16(19,20)21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyWKFDPEMQRQBBRT-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.40
Rot. Bonds9

About N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine

N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 167042611) has the molecular formula C16H24F5N3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID167042611
Molecular FormulaC16H24F5N3
Molecular Weight353.38 g/mol
Exact Mass353.19
IUPAC NameN-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCCC(CNc1ccc(C(F)(F)F)nn1)C(C)CC(F)(F)CC
InChIInChI=1S/C16H24F5N3/c1-4-6-12(11(3)9-15(17,18)5-2)10-22-14-8-7-13(23-24-14)16(19,20)21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyWKFDPEMQRQBBRT-UHFFFAOYSA-N
XLogP5.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 167042611) is N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine is CCCC(CNc1ccc(C(F)(F)F)nn1)C(C)CC(F)(F)CC.
What is the InChIKey of N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is WKFDPEMQRQBBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F5N3/c1-4-6-12(11(3)9-15(17,18)5-2)10-22-14-8-7-13(23-24-14)16(19,20)21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 353.38 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-difluoro-3-methyl-2-propylheptyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 167042611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).