8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline

C17H11ClF3N — CID 58154748

IUPAC8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2ccc3cccc(CCl)c3n2)c1
InChIInChI=1S/C17H11ClF3N/c18-10-13-5-1-3-11-7-8-15(22-16(11)13)12-4-2-6-14(9-12)17(19,20)21/h1-9H,10H2
InChIKeyAMTMDVMEXMWYHP-UHFFFAOYSA-N
MW321.73 g/mol
LogP5.66
Rot. Bonds2

About 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline

8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 58154748) has the molecular formula C17H11ClF3N and a molecular weight of 321.73 g/mol. Its IUPAC name is 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID58154748
Molecular FormulaC17H11ClF3N
Molecular Weight321.73 g/mol
Exact Mass321.05
IUPAC Name8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2ccc3cccc(CCl)c3n2)c1
InChIInChI=1S/C17H11ClF3N/c18-10-13-5-1-3-11-7-8-15(22-16(11)13)12-4-2-6-14(9-12)17(19,20)21/h1-9H,10H2
InChIKeyAMTMDVMEXMWYHP-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.73
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline
CID 23400643
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 165342868
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl] heptanoate
CID 155519028
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089809
2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134626403
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
3-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726862
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010

Frequently Asked Questions

What is the IUPAC name of 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline (CID 58154748) is 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline is FC(F)(F)c1cccc(-c2ccc3cccc(CCl)c3n2)c1.
What is the InChIKey of 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is AMTMDVMEXMWYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N/c18-10-13-5-1-3-11-7-8-15(22-16(11)13)12-4-2-6-14(9-12)17(19,20)21/h1-9H,10H2.
What are the key properties of 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline?
8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 321.73 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 58154748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).