2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline

C17H12Cl2FN — CID 81451336

IUPAC2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
SMILESFc1cccc(C(Cl)Cc2ccc3ccccc3n2)c1Cl
InChIInChI=1S/C17H12Cl2FN/c18-14(13-5-3-6-15(20)17(13)19)10-12-9-8-11-4-1-2-7-16(11)21-12/h1-9,14H,10H2
InChIKeyBUODZDAGFPLYQO-UHFFFAOYSA-N
MW320.19 g/mol
LogP5.55
Rot. Bonds3

About 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline

2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline (PubChem CID 81451336) has the molecular formula C17H12Cl2FN and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
PubChem CID81451336
Molecular FormulaC17H12Cl2FN
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
SMILESFc1cccc(C(Cl)Cc2ccc3ccccc3n2)c1Cl
InChIInChI=1S/C17H12Cl2FN/c18-14(13-5-3-6-15(20)17(13)19)10-12-9-8-11-4-1-2-7-16(11)21-12/h1-9,14H,10H2
InChIKeyBUODZDAGFPLYQO-UHFFFAOYSA-N
XLogP5.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.19
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]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

2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]quinoline
CID 79212762
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
CID 81462158
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile
CID 135027760
1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81461552
1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
CID 107989064
1-(2-chlorofuran-3-yl)-N-ethyl-2-quinolin-2-ylethanamine
CID 106688064

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline?
The IUPAC name of 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline (CID 81451336) is 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline.
What is the SMILES notation for 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline?
The canonical SMILES for 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline is Fc1cccc(C(Cl)Cc2ccc3ccccc3n2)c1Cl.
What is the InChIKey of 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline?
The InChIKey is BUODZDAGFPLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN/c18-14(13-5-3-6-15(20)17(13)19)10-12-9-8-11-4-1-2-7-16(11)21-12/h1-9,14H,10H2.
What are the key properties of 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline?
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline has a molecular weight of 320.19 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline is sourced from PubChem (CID 81451336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).