3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline

C11H6Br2F3NO — CID 121236039

IUPAC3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
SMILESCc1nc2c(OC(F)(F)F)cccc2c(Br)c1Br
InChIInChI=1S/C11H6Br2F3NO/c1-5-8(12)9(13)6-3-2-4-7(10(6)17-5)18-11(14,15)16/h2-4H,1H3
InChIKeyWSYOEQVHPOKLAF-UHFFFAOYSA-N
MW384.98 g/mol
LogP4.97
Rot. Bonds1

About 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline

3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline (PubChem CID 121236039) has the molecular formula C11H6Br2F3NO and a molecular weight of 384.98 g/mol. Its IUPAC name is 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
PubChem CID121236039
Molecular FormulaC11H6Br2F3NO
Molecular Weight384.98 g/mol
Exact Mass382.88
IUPAC Name3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
SMILESCc1nc2c(OC(F)(F)F)cccc2c(Br)c1Br
InChIInChI=1S/C11H6Br2F3NO/c1-5-8(12)9(13)6-3-2-4-7(10(6)17-5)18-11(14,15)16/h2-4H,1H3
InChIKeyWSYOEQVHPOKLAF-UHFFFAOYSA-N
XLogP4.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.98
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine
CID 63483517
3-bromo-7-(trifluoromethoxy)-2H-indazole
CID 133060231
3-chloro-2-methyl-4-piperazin-1-yl-8-(trifluoromethoxy)quinoline
CID 121236417
8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate
CID 26865230
1,3-dimethyl-7-(trifluoromethoxy)indazole
CID 133055459
2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine
CID 63480702
2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine
CID 55190335
N-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
CID 10970771
ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 62188335
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline?
The IUPAC name of 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline (CID 121236039) is 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline.
What is the SMILES notation for 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline?
The canonical SMILES for 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline is Cc1nc2c(OC(F)(F)F)cccc2c(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline?
The InChIKey is WSYOEQVHPOKLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F3NO/c1-5-8(12)9(13)6-3-2-4-7(10(6)17-5)18-11(14,15)16/h2-4H,1H3.
What are the key properties of 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline?
3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline has a molecular weight of 384.98 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline is sourced from PubChem (CID 121236039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).