N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine

C9H13F2N3 — CID 104670141

IUPACN-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
SMILESCc1cc(CNCC(F)F)c(C)nn1
InChIInChI=1S/C9H13F2N3/c1-6-3-8(7(2)14-13-6)4-12-5-9(10)11/h3,9,12H,4-5H2,1-2H3
InChIKeyXYHHCRPDFIKNQS-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.45
Rot. Bonds4

About N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine

N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine (PubChem CID 104670141) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
PubChem CID104670141
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
SMILESCc1cc(CNCC(F)F)c(C)nn1
InChIInChI=1S/C9H13F2N3/c1-6-3-8(7(2)14-13-6)4-12-5-9(10)11/h3,9,12H,4-5H2,1-2H3
InChIKeyXYHHCRPDFIKNQS-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine (CID 104670141) is N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine is Cc1cc(CNCC(F)F)c(C)nn1.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is XYHHCRPDFIKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-6-3-8(7(2)14-13-6)4-12-5-9(10)11/h3,9,12H,4-5H2,1-2H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 201.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 104670141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).