1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine

C13H13F3N2O — CID 103215989

IUPAC1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccc2cccnc2c1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)8-19-7-11(17)10-4-3-9-2-1-5-18-12(9)6-10/h1-6,11H,7-8,17H2
InChIKeyCKZFCGBGGXRVAF-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.81
Rot. Bonds4

About 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine

1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215989) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215989
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccc2cccnc2c1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)8-19-7-11(17)10-4-3-9-2-1-5-18-12(9)6-10/h1-6,11H,7-8,17H2
InChIKeyCKZFCGBGGXRVAF-UHFFFAOYSA-N
XLogP2.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215989) is 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)c1ccc2cccnc2c1.
What is the InChIKey of 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is CKZFCGBGGXRVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)8-19-7-11(17)10-4-3-9-2-1-5-18-12(9)6-10/h1-6,11H,7-8,17H2.
What are the key properties of 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 270.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).