ethane;propane;6-(trifluoromethoxy)pyridin-2-amine

C11H19F3N2O — CID 178040742

IUPACethane;propane;6-(trifluoromethoxy)pyridin-2-amine
SMILESCC.CCC.Nc1cccc(OC(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O.C3H8.C2H6/c7-6(8,9)12-5-3-1-2-4(10)11-5;1-3-2;1-2/h1-3H,(H2,10,11);3H2,1-2H3;1-2H3
InChIKeyBCGBUHOMLQHOHK-UHFFFAOYSA-N
MW252.28 g/mol
LogP4.00
Rot. Bonds1

About ethane;propane;6-(trifluoromethoxy)pyridin-2-amine

ethane;propane;6-(trifluoromethoxy)pyridin-2-amine (PubChem CID 178040742) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is ethane;propane;6-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Nameethane;propane;6-(trifluoromethoxy)pyridin-2-amine
PubChem CID178040742
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Nameethane;propane;6-(trifluoromethoxy)pyridin-2-amine
SMILESCC.CCC.Nc1cccc(OC(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O.C3H8.C2H6/c7-6(8,9)12-5-3-1-2-4(10)11-5;1-3-2;1-2/h1-3H,(H2,10,11);3H2,1-2H3;1-2H3
InChIKeyBCGBUHOMLQHOHK-UHFFFAOYSA-N
XLogP4.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;6-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of ethane;propane;6-(trifluoromethoxy)pyridin-2-amine (CID 178040742) is ethane;propane;6-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for ethane;propane;6-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for ethane;propane;6-(trifluoromethoxy)pyridin-2-amine is CC.CCC.Nc1cccc(OC(F)(F)F)n1.
What is the InChIKey of ethane;propane;6-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is BCGBUHOMLQHOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O.C3H8.C2H6/c7-6(8,9)12-5-3-1-2-4(10)11-5;1-3-2;1-2/h1-3H,(H2,10,11);3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;6-(trifluoromethoxy)pyridin-2-amine?
ethane;propane;6-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 252.28 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;6-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 178040742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).