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

C16H11ClFNO — CID 61268986

IUPAC4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
SMILESFc1cccc(Oc2cc(CCl)c3ccccc3n2)c1
InChIInChI=1S/C16H11ClFNO/c17-10-11-8-16(19-15-7-2-1-6-14(11)15)20-13-5-3-4-12(18)9-13/h1-9H,10H2
InChIKeyDORHFKKAPBOAPH-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.91
Rot. Bonds3

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

4-(chloromethyl)-2-(3-fluorophenoxy)quinoline (PubChem CID 61268986) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
PubChem CID61268986
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
SMILESFc1cccc(Oc2cc(CCl)c3ccccc3n2)c1
InChIInChI=1S/C16H11ClFNO/c17-10-11-8-16(19-15-7-2-1-6-14(11)15)20-13-5-3-4-12(18)9-13/h1-9H,10H2
InChIKeyDORHFKKAPBOAPH-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.91
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-(chloromethyl)-2-(3-methylphenoxy)quinoline
CID 63446156
4-(chloromethyl)-2-(4-methylphenoxy)quinoline
CID 63446185
4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
CID 63446022
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400
4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline
CID 63446236
1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62323576
4-(chloromethyl)-2-phenylmethoxyquinoline
CID 61257867
[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol
CID 83233363
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376
4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline
CID 129011322

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline?
The IUPAC name of 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline (CID 61268986) is 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline?
The canonical SMILES for 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline is Fc1cccc(Oc2cc(CCl)c3ccccc3n2)c1.
What is the InChIKey of 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline?
The InChIKey is DORHFKKAPBOAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-10-11-8-16(19-15-7-2-1-6-14(11)15)20-13-5-3-4-12(18)9-13/h1-9H,10H2.
What are the key properties of 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline?
4-(chloromethyl)-2-(3-fluorophenoxy)quinoline has a molecular weight of 287.72 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-fluorophenoxy)quinoline is sourced from PubChem (CID 61268986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).