2-chloro-5-(difluoromethoxymethyl)quinoline

C11H8ClF2NO — CID 118658455

IUPAC2-chloro-5-(difluoromethoxymethyl)quinoline
SMILESFC(F)OCc1cccc2nc(Cl)ccc12
InChIInChI=1S/C11H8ClF2NO/c12-10-5-4-8-7(6-16-11(13)14)2-1-3-9(8)15-10/h1-5,11H,6H2
InChIKeySUULTJUXPIEYRB-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.63
Rot. Bonds3

About 2-chloro-5-(difluoromethoxymethyl)quinoline

2-chloro-5-(difluoromethoxymethyl)quinoline (PubChem CID 118658455) has the molecular formula C11H8ClF2NO and a molecular weight of 243.64 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethoxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-5-(difluoromethoxymethyl)quinoline
PubChem CID118658455
Molecular FormulaC11H8ClF2NO
Molecular Weight243.64 g/mol
Exact Mass243.03
IUPAC Name2-chloro-5-(difluoromethoxymethyl)quinoline
SMILESFC(F)OCc1cccc2nc(Cl)ccc12
InChIInChI=1S/C11H8ClF2NO/c12-10-5-4-8-7(6-16-11(13)14)2-1-3-9(8)15-10/h1-5,11H,6H2
InChIKeySUULTJUXPIEYRB-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethoxymethyl)quinoline?
The IUPAC name of 2-chloro-5-(difluoromethoxymethyl)quinoline (CID 118658455) is 2-chloro-5-(difluoromethoxymethyl)quinoline.
What is the SMILES notation for 2-chloro-5-(difluoromethoxymethyl)quinoline?
The canonical SMILES for 2-chloro-5-(difluoromethoxymethyl)quinoline is FC(F)OCc1cccc2nc(Cl)ccc12.
What is the InChIKey of 2-chloro-5-(difluoromethoxymethyl)quinoline?
The InChIKey is SUULTJUXPIEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO/c12-10-5-4-8-7(6-16-11(13)14)2-1-3-9(8)15-10/h1-5,11H,6H2.
What are the key properties of 2-chloro-5-(difluoromethoxymethyl)quinoline?
2-chloro-5-(difluoromethoxymethyl)quinoline has a molecular weight of 243.64 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethoxymethyl)quinoline is sourced from PubChem (CID 118658455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).