2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline

C16H10Cl2FNO — CID 82718093

IUPAC2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline
SMILESFc1cc(Oc2nc3ccccc3cc2CCl)ccc1Cl
InChIInChI=1S/C16H10Cl2FNO/c17-9-11-7-10-3-1-2-4-15(10)20-16(11)21-12-5-6-13(18)14(19)8-12/h1-8H,9H2
InChIKeyUCJFVOADPORGAD-UHFFFAOYSA-N
MW322.17 g/mol
LogP5.56
Rot. Bonds3

About 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline

2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline (PubChem CID 82718093) has the molecular formula C16H10Cl2FNO and a molecular weight of 322.17 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline
PubChem CID82718093
Molecular FormulaC16H10Cl2FNO
Molecular Weight322.17 g/mol
Exact Mass321.01
IUPAC Name2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline
SMILESFc1cc(Oc2nc3ccccc3cc2CCl)ccc1Cl
InChIInChI=1S/C16H10Cl2FNO/c17-9-11-7-10-3-1-2-4-15(10)20-16(11)21-12-5-6-13(18)14(19)8-12/h1-8H,9H2
InChIKeyUCJFVOADPORGAD-UHFFFAOYSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.17
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(chloromethyl)quinolin-2-yl]oxybenzonitrile
CID 28964839
[2-(3-fluoro-4-methylphenoxy)quinolin-3-yl]methanol
CID 107169696
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
2-[2-(4-chlorophenoxy)quinolin-3-yl]ethanamine
CID 63804294
[2-(4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28966185
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
CID 28964083
1-[2-(4-fluorophenoxy)quinolin-3-yl]-N-methylmethanamine
CID 43283154
[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine
CID 82719515
2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine
CID 82716672
[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 61229145
4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
CID 82716251

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline (CID 82718093) is 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline is Fc1cc(Oc2nc3ccccc3cc2CCl)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline?
The InChIKey is UCJFVOADPORGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO/c17-9-11-7-10-3-1-2-4-15(10)20-16(11)21-12-5-6-13(18)14(19)8-12/h1-8H,9H2.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline?
2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline has a molecular weight of 322.17 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline is sourced from PubChem (CID 82718093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).