1,1-dichloroethane;quinoline

C11H11Cl2N — CID 174696538

IUPAC1,1-dichloroethane;quinoline
SMILESCC(Cl)Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4Cl2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2(3)4/h1-7H;2H,1H3
InChIKeyWKGZQYCUJQMABD-UHFFFAOYSA-N
MW228.12 g/mol
LogP4.04
Rot. Bonds

About 1,1-dichloroethane;quinoline

1,1-dichloroethane;quinoline (PubChem CID 174696538) has the molecular formula C11H11Cl2N and a molecular weight of 228.12 g/mol. Its IUPAC name is 1,1-dichloroethane;quinoline.

Molecular Properties

Compound Name1,1-dichloroethane;quinoline
PubChem CID174696538
Molecular FormulaC11H11Cl2N
Molecular Weight228.12 g/mol
Exact Mass227.03
IUPAC Name1,1-dichloroethane;quinoline
SMILESCC(Cl)Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4Cl2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2(3)4/h1-7H;2H,1H3
InChIKeyWKGZQYCUJQMABD-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 54.04
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

bis(2-methylpropane);quinoline
CID 159945466
propan-2-ol;quinoline
CID 172685699
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784
CID 160566295
CID 160566295
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
osmium(2+);quinoline
CID 158407120
CID 159709187
CID 159709187
platinum(2+);quinoline
CID 50910245
N,N-dimethylmethanamine;quinoline
CID 174404526

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethane;quinoline?
The IUPAC name of 1,1-dichloroethane;quinoline (CID 174696538) is 1,1-dichloroethane;quinoline.
What is the SMILES notation for 1,1-dichloroethane;quinoline?
The canonical SMILES for 1,1-dichloroethane;quinoline is CC(Cl)Cl.c1ccc2ncccc2c1.
What is the InChIKey of 1,1-dichloroethane;quinoline?
The InChIKey is WKGZQYCUJQMABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H4Cl2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2(3)4/h1-7H;2H,1H3.
What are the key properties of 1,1-dichloroethane;quinoline?
1,1-dichloroethane;quinoline has a molecular weight of 228.12 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethane;quinoline is sourced from PubChem (CID 174696538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).