3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine

C12H11F3N2O — CID 62193317

IUPAC3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCC(F)(F)F
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)7-18-6-9-5-8-3-1-2-4-10(8)17-11(9)16/h1-5H,6-7H2,(H2,16,17)
InChIKeyWLMNBBSBPXOOKE-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.90
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine

3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine (PubChem CID 62193317) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
PubChem CID62193317
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1COCC(F)(F)F
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)7-18-6-9-5-8-3-1-2-4-10(8)17-11(9)16/h1-5H,6-7H2,(H2,16,17)
InChIKeyWLMNBBSBPXOOKE-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine (CID 62193317) is 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine is Nc1nc2ccccc2cc1COCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The InChIKey is WLMNBBSBPXOOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)7-18-6-9-5-8-3-1-2-4-10(8)17-11(9)16/h1-5H,6-7H2,(H2,16,17).
What are the key properties of 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine has a molecular weight of 256.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine is sourced from PubChem (CID 62193317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).