5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline

C16H10Cl2FNO — CID 106530629

IUPAC5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline
SMILESFc1cc(CCl)cc(Oc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H10Cl2FNO/c17-9-10-6-11(19)8-12(7-10)21-15-4-3-14(18)13-2-1-5-20-16(13)15/h1-8H,9H2
InChIKeyLOEDJBIAGXCBMV-UHFFFAOYSA-N
MW322.17 g/mol
LogP5.56
Rot. Bonds3

About 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline

5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline (PubChem CID 106530629) has the molecular formula C16H10Cl2FNO and a molecular weight of 322.17 g/mol. Its IUPAC name is 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline.

Molecular Properties

Compound Name5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline
PubChem CID106530629
Molecular FormulaC16H10Cl2FNO
Molecular Weight322.17 g/mol
Exact Mass321.01
IUPAC Name5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline
SMILESFc1cc(CCl)cc(Oc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H10Cl2FNO/c17-9-10-6-11(19)8-12(7-10)21-15-4-3-14(18)13-2-1-5-20-16(13)15/h1-8H,9H2
InChIKeyLOEDJBIAGXCBMV-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

[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
CID 106530586
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
CID 12945983
CID 12945983
2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 115499745
1-chloro-2-[3-(chloromethyl)-5-fluorophenoxy]-4-nitrobenzene
CID 106530691
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
8-(3,5-dichlorophenoxy)quinolin-5-amine
CID 43621813

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline?
The IUPAC name of 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline (CID 106530629) is 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline.
What is the SMILES notation for 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline?
The canonical SMILES for 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline is Fc1cc(CCl)cc(Oc2ccc(Cl)c3cccnc23)c1.
What is the InChIKey of 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline?
The InChIKey is LOEDJBIAGXCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO/c17-9-10-6-11(19)8-12(7-10)21-15-4-3-14(18)13-2-1-5-20-16(13)15/h1-8H,9H2.
What are the key properties of 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline?
5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]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 5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline is sourced from PubChem (CID 106530629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).