6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine

C9H11F3N2O — CID 79239982

IUPAC6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
SMILESCC(OCc1cccc(N)n1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6(9(10,11)12)15-5-7-3-2-4-8(13)14-7/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyOLGAFWLFMNEWAQ-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.13
Rot. Bonds3

About 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine

6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine (PubChem CID 79239982) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
PubChem CID79239982
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
SMILESCC(OCc1cccc(N)n1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6(9(10,11)12)15-5-7-3-2-4-8(13)14-7/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyOLGAFWLFMNEWAQ-UHFFFAOYSA-N
XLogP2.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
The IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine (CID 79239982) is 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine.
What is the SMILES notation for 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
The canonical SMILES for 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine is CC(OCc1cccc(N)n1)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
The InChIKey is OLGAFWLFMNEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(9(10,11)12)15-5-7-3-2-4-8(13)14-7/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine has a molecular weight of 220.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine is sourced from PubChem (CID 79239982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).