2-(2,2,2-trifluoroethoxy)pyridin-3-amine

C7H7F3N2O — CID 16785301

IUPAC2-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESNc1cccnc1OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-5(11)2-1-3-12-6/h1-3H,4,11H2
InChIKeyVQZONWZIMNWUQE-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.60
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)pyridin-3-amine

2-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 16785301) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID16785301
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESNc1cccnc1OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-5(11)2-1-3-12-6/h1-3H,4,11H2
InChIKeyVQZONWZIMNWUQE-UHFFFAOYSA-N
XLogP1.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 16785301) is 2-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)pyridin-3-amine is Nc1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is VQZONWZIMNWUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-5(11)2-1-3-12-6/h1-3H,4,11H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
2-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 192.14 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 16785301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).