7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine

C11H8F4N2 — CID 79046115

IUPAC7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(F)cc2nc(C(F)(F)F)cc(N)c12
InChIInChI=1S/C11H8F4N2/c1-5-2-6(12)3-8-10(5)7(16)4-9(17-8)11(13,14)15/h2-4H,1H3,(H2,16,17)
InChIKeyJKQXPQJCGLFYCO-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.28
Rot. Bonds

About 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine

7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 79046115) has the molecular formula C11H8F4N2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID79046115
Molecular FormulaC11H8F4N2
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(F)cc2nc(C(F)(F)F)cc(N)c12
InChIInChI=1S/C11H8F4N2/c1-5-2-6(12)3-8-10(5)7(16)4-9(17-8)11(13,14)15/h2-4H,1H3,(H2,16,17)
InChIKeyJKQXPQJCGLFYCO-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Methylquinolin-6-amine
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6-Fluoro-1,2,3,4-tetrahydroacridin-9-amine
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6-Methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10774917
7,8,9,10-tetrahydro-6H-cyclohepta(b)quinolin-11-amine
CID 22006

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 79046115) is 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine is Cc1cc(F)cc2nc(C(F)(F)F)cc(N)c12.
What is the InChIKey of 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JKQXPQJCGLFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2/c1-5-2-6(12)3-8-10(5)7(16)4-9(17-8)11(13,14)15/h2-4H,1H3,(H2,16,17).
What are the key properties of 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine?
7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 244.19 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 79046115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).