6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine

C9H11F3N2O — CID 68842615

IUPAC6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
SMILESNc1cccc(COCCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)4-5-15-6-7-2-1-3-8(13)14-7/h1-3H,4-6H2,(H2,13,14)
InChIKeyLDECQTQYKAFPRI-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.13
Rot. Bonds4

About 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine

6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine (PubChem CID 68842615) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
PubChem CID68842615
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
SMILESNc1cccc(COCCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)4-5-15-6-7-2-1-3-8(13)14-7/h1-3H,4-6H2,(H2,13,14)
InChIKeyLDECQTQYKAFPRI-UHFFFAOYSA-N
XLogP2.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine?
The IUPAC name of 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine (CID 68842615) is 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine?
The canonical SMILES for 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine is Nc1cccc(COCCC(F)(F)F)n1.
What is the InChIKey of 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine?
The InChIKey is LDECQTQYKAFPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)4-5-15-6-7-2-1-3-8(13)14-7/h1-3H,4-6H2,(H2,13,14).
What are the key properties of 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine?
6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine has a molecular weight of 220.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine is sourced from PubChem (CID 68842615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).