5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine

C11H6F6N2 — CID 62810601

IUPAC5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C11H6F6N2/c1-18-6-3-7(11(15,16)17)19-10-5(13)2-4(12)9(14)8(6)10/h2-3H,1H3,(H,18,19)
InChIKeyYTJUXMVUQBQHSV-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.71
Rot. Bonds1

About 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine

5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 62810601) has the molecular formula C11H6F6N2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID62810601
Molecular FormulaC11H6F6N2
Molecular Weight280.17 g/mol
Exact Mass280.04
IUPAC Name5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1cc(C(F)(F)F)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C11H6F6N2/c1-18-6-3-7(11(15,16)17)19-10-5(13)2-4(12)9(14)8(6)10/h2-3H,1H3,(H,18,19)
InChIKeyYTJUXMVUQBQHSV-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388
5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
5,8-dichloro-N,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728198
2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
CID 63480563
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
8-iodo-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62203049
2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 62196271
[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250423
2,3,4-trifluoro-6-(trifluoromethyl)pyridine
CID 46317997
[7,8-difluoro-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62251548
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
CID 43668790

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 62810601) is 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine is CNc1cc(C(F)(F)F)nc2c(F)cc(F)c(F)c12.
What is the InChIKey of 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is YTJUXMVUQBQHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2/c1-18-6-3-7(11(15,16)17)19-10-5(13)2-4(12)9(14)8(6)10/h2-3H,1H3,(H,18,19).
What are the key properties of 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine?
5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 280.17 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 62810601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).