6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline

C11H5BrCl2F3NO — CID 118022282

IUPAC6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1c(Cl)nc2ccc(Br)cc2c1Cl
InChIInChI=1S/C11H5BrCl2F3NO/c12-5-1-2-7-6(3-5)8(13)9(10(14)18-7)19-4-11(15,16)17/h1-3H,4H2
InChIKeyJTLBXEVGIKAULY-UHFFFAOYSA-N
MW374.97 g/mol
LogP5.25
Rot. Bonds2

About 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline

6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 118022282) has the molecular formula C11H5BrCl2F3NO and a molecular weight of 374.97 g/mol. Its IUPAC name is 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline
PubChem CID118022282
Molecular FormulaC11H5BrCl2F3NO
Molecular Weight374.97 g/mol
Exact Mass372.89
IUPAC Name6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1c(Cl)nc2ccc(Br)cc2c1Cl
InChIInChI=1S/C11H5BrCl2F3NO/c12-5-1-2-7-6(3-5)8(13)9(10(14)18-7)19-4-11(15,16)17/h1-3H,4H2
InChIKeyJTLBXEVGIKAULY-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.97
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
CID 97181858
6-bromo-4-[2-(2,2,2-trifluoroethoxy)phenoxy]quinazoline
CID 86946168
4-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloropyrimidin-2-amine
CID 86004364
6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
CID 90101624
3,5-dibromo-4-(2,2,2-trifluoroethoxy)aniline
CID 60759570
6-bromo-4-(trifluoromethyl)quinoline
CID 135234308
8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
CID 66574972
6-bromo-4-chloroquinazoline;hydrochloride
CID 75529861
6-bromo-4-chloroquinolin-2-amine
CID 154853425
6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
CID 81288093
6-bromo-2-chloro-4-(difluoromethyl)quinoline
CID 112757570
4-bromo-2-isocyano-1-(2,2,2-trifluoroethoxy)benzene
CID 58516372

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline (CID 118022282) is 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline is FC(F)(F)COc1c(Cl)nc2ccc(Br)cc2c1Cl.
What is the InChIKey of 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is JTLBXEVGIKAULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2F3NO/c12-5-1-2-7-6(3-5)8(13)9(10(14)18-7)19-4-11(15,16)17/h1-3H,4H2.
What are the key properties of 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline?
6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 374.97 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 118022282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).