[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine

C10H11F6N3O — CID 102721525

IUPAC[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(OC(C(F)(F)F)C(F)(F)F)c(CN)c1C
InChIInChI=1S/C10H11F6N3O/c1-4-5(2)18-19-7(6(4)3-17)20-8(9(11,12)13)10(14,15)16/h8H,3,17H2,1-2H3
InChIKeyDLGOCIYYVOXCPA-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.42
Rot. Bonds3

About [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 102721525) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID102721525
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC Name[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(OC(C(F)(F)F)C(F)(F)F)c(CN)c1C
InChIInChI=1S/C10H11F6N3O/c1-4-5(2)18-19-7(6(4)3-17)20-8(9(11,12)13)10(14,15)16/h8H,3,17H2,1-2H3
InChIKeyDLGOCIYYVOXCPA-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 102721525) is [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine is Cc1nnc(OC(C(F)(F)F)C(F)(F)F)c(CN)c1C.
What is the InChIKey of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is DLGOCIYYVOXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O/c1-4-5(2)18-19-7(6(4)3-17)20-8(9(11,12)13)10(14,15)16/h8H,3,17H2,1-2H3.
What are the key properties of [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 303.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 102721525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).