8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline

C17H10Cl2F3NO — CID 177312715

IUPAC8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
SMILESFC(F)(F)Oc1ccc(C(Cl)c2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C17H10Cl2F3NO/c18-13-3-1-2-11-6-9-14(23-16(11)13)15(19)10-4-7-12(8-5-10)24-17(20,21)22/h1-9,15H
InChIKeyJZRRZGWKTMRTLF-UHFFFAOYSA-N
MW372.17 g/mol
LogP6.11
Rot. Bonds3

About 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline

8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline (PubChem CID 177312715) has the molecular formula C17H10Cl2F3NO and a molecular weight of 372.17 g/mol. Its IUPAC name is 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
PubChem CID177312715
Molecular FormulaC17H10Cl2F3NO
Molecular Weight372.17 g/mol
Exact Mass371.01
IUPAC Name8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
SMILESFC(F)(F)Oc1ccc(C(Cl)c2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C17H10Cl2F3NO/c18-13-3-1-2-11-6-9-14(23-16(11)13)15(19)10-4-7-12(8-5-10)24-17(20,21)22/h1-9,15H
InChIKeyJZRRZGWKTMRTLF-UHFFFAOYSA-N
XLogP6.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.17
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 177312697
[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]urea
CID 177312661
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
8-chloro-2-(dibromomethyl)quinoline
CID 4064523
3,8-dichloro-N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 177312599
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 118658884
2,5-dibromo-3-[chloro-[4-(trifluoromethoxy)phenyl]methyl]thiophene
CID 116629141
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
(S)-[2-chloro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242801

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline?
The IUPAC name of 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline (CID 177312715) is 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline.
What is the SMILES notation for 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline?
The canonical SMILES for 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline is FC(F)(F)Oc1ccc(C(Cl)c2ccc3cccc(Cl)c3n2)cc1.
What is the InChIKey of 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline?
The InChIKey is JZRRZGWKTMRTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3NO/c18-13-3-1-2-11-6-9-14(23-16(11)13)15(19)10-4-7-12(8-5-10)24-17(20,21)22/h1-9,15H.
What are the key properties of 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline?
8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline has a molecular weight of 372.17 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline is sourced from PubChem (CID 177312715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).