8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine

C13H13F4N3 — CID 83165498

IUPAC8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine
SMILESCCN(CC(F)(F)F)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C13H13F4N3/c1-2-20(7-13(15,16)17)12-9(14)6-10(18)8-4-3-5-19-11(8)12/h3-6H,2,7,18H2,1H3
InChIKeyONSZLWJOGISIQI-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.34
Rot. Bonds3

About 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine

8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine (PubChem CID 83165498) has the molecular formula C13H13F4N3 and a molecular weight of 287.26 g/mol. Its IUPAC name is 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine
PubChem CID83165498
Molecular FormulaC13H13F4N3
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine
SMILESCCN(CC(F)(F)F)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C13H13F4N3/c1-2-20(7-13(15,16)17)12-9(14)6-10(18)8-4-3-5-19-11(8)12/h3-6H,2,7,18H2,1H3
InChIKeyONSZLWJOGISIQI-UHFFFAOYSA-N
XLogP3.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine (CID 83165498) is 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine is CCN(CC(F)(F)F)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine?
The InChIKey is ONSZLWJOGISIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3/c1-2-20(7-13(15,16)17)12-9(14)6-10(18)8-4-3-5-19-11(8)12/h3-6H,2,7,18H2,1H3.
What are the key properties of 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine?
8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine has a molecular weight of 287.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-ethyl-7-fluoro-8-N-(2,2,2-trifluoroethyl)quinoline-5,8-diamine is sourced from PubChem (CID 83165498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).