4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline

C17H10Br2F6N2 — CID 160968511

IUPAC4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Br)cc2cccnc12.Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H5BrF3N.C7H5BrF3N/c11-7-4-6-2-1-3-15-9(6)8(5-7)10(12,13)14;8-4-1-2-6(12)5(3-4)7(9,10)11/h1-5H;1-3H,12H2
InChIKeySXYCOFYFGUZAGA-UHFFFAOYSA-N
MW516.08 g/mol
LogP7.07
Rot. Bonds

About 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline

4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline (PubChem CID 160968511) has the molecular formula C17H10Br2F6N2 and a molecular weight of 516.08 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline
PubChem CID160968511
Molecular FormulaC17H10Br2F6N2
Molecular Weight516.08 g/mol
Exact Mass513.91
IUPAC Name4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Br)cc2cccnc12.Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H5BrF3N.C7H5BrF3N/c11-7-4-6-2-1-3-15-9(6)8(5-7)10(12,13)14;8-4-1-2-6(12)5(3-4)7(9,10)11/h1-5H;1-3H,12H2
InChIKeySXYCOFYFGUZAGA-UHFFFAOYSA-N
XLogP7.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.08
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162
8-(trifluoromethyl)quinoline-6-carbaldehyde
CID 87213949
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
7-bromo-5-(trifluoromethyl)quinoline
CID 68754941
2-benzo[h]quinolin-10-yl-5-bromoaniline
CID 129037776
2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
CID 22030268
ethane;quinolin-8-amine
CID 91158659
7-bromo-2-(trifluoromethyl)quinoline;quinoline
CID 174900044
6-bromo-7-(trifluoromethyl)quinoline
CID 91659035
4-(4-bromophenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 21434128
8-(trifluoromethyl)isoquinolin-3-amine
CID 71742569
bis(6-bromoquinoline);hydrate
CID 174834691

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline (CID 160968511) is 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline is FC(F)(F)c1cc(Br)cc2cccnc12.Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline?
The InChIKey is SXYCOFYFGUZAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N.C7H5BrF3N/c11-7-4-6-2-1-3-15-9(6)8(5-7)10(12,13)14;8-4-1-2-6(12)5(3-4)7(9,10)11/h1-5H;1-3H,12H2.
What are the key properties of 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline?
4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline has a molecular weight of 516.08 g/mol, XLogP of 7.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 160968511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).