2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline

C11H5Cl3F3N — CID 63531524

IUPAC2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc(Cl)c2nc(Cl)c(CCl)cc12
InChIInChI=1S/C11H5Cl3F3N/c12-4-5-3-6-7(11(15,16)17)1-2-8(13)9(6)18-10(5)14/h1-3H,4H2
InChIKeyBHTQMUDGSNIPOW-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.30
Rot. Bonds1

About 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline

2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline (PubChem CID 63531524) has the molecular formula C11H5Cl3F3N and a molecular weight of 314.52 g/mol. Its IUPAC name is 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline
PubChem CID63531524
Molecular FormulaC11H5Cl3F3N
Molecular Weight314.52 g/mol
Exact Mass312.94
IUPAC Name2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc(Cl)c2nc(Cl)c(CCl)cc12
InChIInChI=1S/C11H5Cl3F3N/c12-4-5-3-6-7(11(15,16)17)1-2-8(13)9(6)18-10(5)14/h1-3H,4H2
InChIKeyBHTQMUDGSNIPOW-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,8-dichloro-3-ethyl-5-(trifluoromethyl)quinoline
CID 55225059
2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline
CID 63531533
2,7,8-trichloro-3-(chloromethyl)quinoline
CID 63231882
8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine
CID 63526110
5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline
CID 63231622
2,8-dichloro-3-ethyl-5-methoxyquinoline
CID 63232145
5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
CID 107594160
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene
CID 22326912
1-(chloromethyl)-3-fluoro-2,4-bis(trifluoromethyl)benzene
CID 134617827
2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
CID 139336058
2-chloro-4-(chloromethyl)-5-(trifluoromethyl)aniline
CID 131011851

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline?
The IUPAC name of 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline (CID 63531524) is 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline?
The canonical SMILES for 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline is FC(F)(F)c1ccc(Cl)c2nc(Cl)c(CCl)cc12.
What is the InChIKey of 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline?
The InChIKey is BHTQMUDGSNIPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3F3N/c12-4-5-3-6-7(11(15,16)17)1-2-8(13)9(6)18-10(5)14/h1-3H,4H2.
What are the key properties of 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline?
2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline has a molecular weight of 314.52 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 63531524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).