6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

C12H11F3N2OS — CID 102719943

IUPAC6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(OCCc2cccs2)n1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-6-10(16)17-11(7-8)18-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H2,16,17)
InChIKeyRNIXVNAELVCSTB-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.37
Rot. Bonds4

About 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719943) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719943
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(OCCc2cccs2)n1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-6-10(16)17-11(7-8)18-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H2,16,17)
InChIKeyRNIXVNAELVCSTB-UHFFFAOYSA-N
XLogP3.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719943) is 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(OCCc2cccs2)n1.
What is the InChIKey of 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RNIXVNAELVCSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)8-6-10(16)17-11(7-8)18-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H2,16,17).
What are the key properties of 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 288.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).