5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline

C10H2BrClF5N — CID 102854746

IUPAC5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
SMILESFc1cc(F)c2nc(C(F)(F)F)cc(Cl)c2c1Br
InChIInChI=1S/C10H2BrClF5N/c11-8-4(13)2-5(14)9-7(8)3(12)1-6(18-9)10(15,16)17/h1-2H
InChIKeyOBBXCWZKOUKCRU-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.95
Rot. Bonds

About 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline

5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline (PubChem CID 102854746) has the molecular formula C10H2BrClF5N and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
PubChem CID102854746
Molecular FormulaC10H2BrClF5N
Molecular Weight346.48 g/mol
Exact Mass344.90
IUPAC Name5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
SMILESFc1cc(F)c2nc(C(F)(F)F)cc(Cl)c2c1Br
InChIInChI=1S/C10H2BrClF5N/c11-8-4(13)2-5(14)9-7(8)3(12)1-6(18-9)10(15,16)17/h1-2H
InChIKeyOBBXCWZKOUKCRU-UHFFFAOYSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline
CID 102854761
5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 107594002
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
CID 55045501
5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62810601
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
CID 43668790
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724
6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline
CID 107792857
5-bromo-6,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 102854998
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
CID 107593556

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline?
The IUPAC name of 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline (CID 102854746) is 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline is Fc1cc(F)c2nc(C(F)(F)F)cc(Cl)c2c1Br.
What is the InChIKey of 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline?
The InChIKey is OBBXCWZKOUKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2BrClF5N/c11-8-4(13)2-5(14)9-7(8)3(12)1-6(18-9)10(15,16)17/h1-2H.
What are the key properties of 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline?
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline has a molecular weight of 346.48 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 102854746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).