5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine

C11H7BrF4N2 — CID 107594002

IUPAC5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(F)c(Br)c2c(N)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H7BrF4N2/c1-4-2-5(13)9(12)8-6(17)3-7(11(14,15)16)18-10(4)8/h2-3H,1H3,(H2,17,18)
InChIKeyJFHULCGKSFHQDR-UHFFFAOYSA-N
MW323.09 g/mol
LogP4.05
Rot. Bonds

About 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine

5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 107594002) has the molecular formula C11H7BrF4N2 and a molecular weight of 323.09 g/mol. Its IUPAC name is 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID107594002
Molecular FormulaC11H7BrF4N2
Molecular Weight323.09 g/mol
Exact Mass321.97
IUPAC Name5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(F)c(Br)c2c(N)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H7BrF4N2/c1-4-2-5(13)9(12)8-6(17)3-7(11(14,15)16)18-10(4)8/h2-3H,1H3,(H2,17,18)
InChIKeyJFHULCGKSFHQDR-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55045264
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
5,8-dichloro-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 113445976
7-fluoro-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 79046115
5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
CID 55045501
2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine
CID 103587333
5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
CID 107593976
5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947250
[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250423
2-tert-butyl-8-fluoro-5-methylquinolin-4-amine
CID 55045601
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
CID 107593556
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 107594002) is 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine is Cc1cc(F)c(Br)c2c(N)cc(C(F)(F)F)nc12.
What is the InChIKey of 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JFHULCGKSFHQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF4N2/c1-4-2-5(13)9(12)8-6(17)3-7(11(14,15)16)18-10(4)8/h2-3H,1H3,(H2,17,18).
What are the key properties of 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 323.09 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 107594002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).