3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine

C11H13F5N2O — CID 103183254

IUPAC3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine
SMILESCc1cnc(COCC(F)(F)C(F)(F)F)c(C)c1N
InChIInChI=1S/C11H13F5N2O/c1-6-3-18-8(7(2)9(6)17)4-19-5-10(12,13)11(14,15)16/h3H,4-5H2,1-2H3,(H2,17,18)
InChIKeyZJKKWOCARPDMKZ-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.99
Rot. Bonds4

About 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine

3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine (PubChem CID 103183254) has the molecular formula C11H13F5N2O and a molecular weight of 284.23 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine
PubChem CID103183254
Molecular FormulaC11H13F5N2O
Molecular Weight284.23 g/mol
Exact Mass284.09
IUPAC Name3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine
SMILESCc1cnc(COCC(F)(F)C(F)(F)F)c(C)c1N
InChIInChI=1S/C11H13F5N2O/c1-6-3-18-8(7(2)9(6)17)4-19-5-10(12,13)11(14,15)16/h3H,4-5H2,1-2H3,(H2,17,18)
InChIKeyZJKKWOCARPDMKZ-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine (CID 103183254) is 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine is Cc1cnc(COCC(F)(F)C(F)(F)F)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine?
The InChIKey is ZJKKWOCARPDMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2O/c1-6-3-18-8(7(2)9(6)17)4-19-5-10(12,13)11(14,15)16/h3H,4-5H2,1-2H3,(H2,17,18).
What are the key properties of 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine?
3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine has a molecular weight of 284.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pyridin-4-amine is sourced from PubChem (CID 103183254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).