5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine

C12H8BrF5N2 — CID 102854998

IUPAC5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c(F)cc(F)c(Br)c12
InChIInChI=1S/C12H8BrF5N2/c1-4-9(19-2)7-8(13)5(14)3-6(15)10(7)20-11(4)12(16,17)18/h3H,1-2H3,(H,19,20)
InChIKeyNEWVEBJOGHWTHJ-UHFFFAOYSA-N
MW355.10 g/mol
LogP4.64
Rot. Bonds1

About 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine

5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 102854998) has the molecular formula C12H8BrF5N2 and a molecular weight of 355.10 g/mol. Its IUPAC name is 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID102854998
Molecular FormulaC12H8BrF5N2
Molecular Weight355.10 g/mol
Exact Mass353.98
IUPAC Name5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c(F)cc(F)c(Br)c12
InChIInChI=1S/C12H8BrF5N2/c1-4-9(19-2)7-8(13)5(14)3-6(15)10(7)20-11(4)12(16,17)18/h3H,1-2H3,(H,19,20)
InChIKeyNEWVEBJOGHWTHJ-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 54.64
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

5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743910
6-bromo-N,3,5,7-tetramethyl-2-(trifluoromethyl)quinolin-4-amine
CID 107578764
5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 81289179
4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline
CID 63744575
N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743908
5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743220
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
[5-fluoro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744433
4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline
CID 63743382
8-fluoro-3,6-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743224
7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 102854998) is 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is CNc1c(C)c(C(F)(F)F)nc2c(F)cc(F)c(Br)c12.
What is the InChIKey of 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is NEWVEBJOGHWTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF5N2/c1-4-9(19-2)7-8(13)5(14)3-6(15)10(7)20-11(4)12(16,17)18/h3H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 355.10 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 102854998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).