6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine

C12H17F4N3O — CID 106289927

IUPAC6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCC(F)(F)C(F)F)ccc1N
InChIInChI=1S/C12H17F4N3O/c1-11(2,3)20-9-7(17)4-5-8(19-9)18-6-12(15,16)10(13)14/h4-5,10H,6,17H2,1-3H3,(H,18,19)
InChIKeyZPDPWDJSKTZDBT-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.15
Rot. Bonds5

About 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine

6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine (PubChem CID 106289927) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
PubChem CID106289927
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCC(F)(F)C(F)F)ccc1N
InChIInChI=1S/C12H17F4N3O/c1-11(2,3)20-9-7(17)4-5-8(19-9)18-6-12(15,16)10(13)14/h4-5,10H,6,17H2,1-3H3,(H,18,19)
InChIKeyZPDPWDJSKTZDBT-UHFFFAOYSA-N
XLogP3.15
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine (CID 106289927) is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine is CC(C)(C)Oc1nc(NCC(F)(F)C(F)F)ccc1N.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The InChIKey is ZPDPWDJSKTZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-11(2,3)20-9-7(17)4-5-8(19-9)18-6-12(15,16)10(13)14/h4-5,10H,6,17H2,1-3H3,(H,18,19).
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine has a molecular weight of 295.28 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine is sourced from PubChem (CID 106289927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).