6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline

C17H8BrF6N — CID 164676600

IUPAC6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H8BrF6N/c18-11-5-6-14-12(7-11)13(17(22,23)24)8-15(25-14)9-1-3-10(4-2-9)16(19,20)21/h1-8H
InChIKeyFDWKYRYPRQQLMJ-UHFFFAOYSA-N
MW420.15 g/mol
LogP6.70
Rot. Bonds1

About 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline

6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline (PubChem CID 164676600) has the molecular formula C17H8BrF6N and a molecular weight of 420.15 g/mol. Its IUPAC name is 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline
PubChem CID164676600
Molecular FormulaC17H8BrF6N
Molecular Weight420.15 g/mol
Exact Mass418.97
IUPAC Name6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H8BrF6N/c18-11-5-6-14-12(7-11)13(17(22,23)24)8-15(25-14)9-1-3-10(4-2-9)16(19,20)21/h1-8H
InChIKeyFDWKYRYPRQQLMJ-UHFFFAOYSA-N
XLogP6.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.15
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-methyl-3-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]quinoline
CID 12001725
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
6-bromo-3-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 159151175
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
6-bromo-4-(trifluoromethyl)quinoline
CID 135234308
2-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-amine
CID 11197005
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol
CID 175247423
5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline
CID 2799149
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 57468745

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline (CID 164676600) is 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline?
The InChIKey is FDWKYRYPRQQLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8BrF6N/c18-11-5-6-14-12(7-11)13(17(22,23)24)8-15(25-14)9-1-3-10(4-2-9)16(19,20)21/h1-8H.
What are the key properties of 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline?
6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline has a molecular weight of 420.15 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 164676600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).