6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C10H14F3N3O — CID 43261091

IUPAC6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCC(C)Oc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C10H14F3N3O/c1-6(2)17-9-7(14)3-4-8(16-9)15-5-10(11,12)13/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyLAJQTEWIEAVVNK-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.43
Rot. Bonds4

About 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 43261091) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID43261091
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCC(C)Oc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C10H14F3N3O/c1-6(2)17-9-7(14)3-4-8(16-9)15-5-10(11,12)13/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyLAJQTEWIEAVVNK-UHFFFAOYSA-N
XLogP2.43
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 43261091) is 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CC(C)Oc1nc(NCC(F)(F)F)ccc1N.
What is the InChIKey of 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is LAJQTEWIEAVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(2)17-9-7(14)3-4-8(16-9)15-5-10(11,12)13/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 249.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).