4-chloro-6-fluoro-2-(methoxymethyl)quinoline

C11H9ClFNO — CID 62319376

IUPAC4-chloro-6-fluoro-2-(methoxymethyl)quinoline
SMILESCOCc1cc(Cl)c2cc(F)ccc2n1
InChIInChI=1S/C11H9ClFNO/c1-15-6-8-5-10(12)9-4-7(13)2-3-11(9)14-8/h2-5H,6H2,1H3
InChIKeyMEKNGYCGVALDQB-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.17
Rot. Bonds2

About 4-chloro-6-fluoro-2-(methoxymethyl)quinoline

4-chloro-6-fluoro-2-(methoxymethyl)quinoline (PubChem CID 62319376) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-(methoxymethyl)quinoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-(methoxymethyl)quinoline
PubChem CID62319376
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name4-chloro-6-fluoro-2-(methoxymethyl)quinoline
SMILESCOCc1cc(Cl)c2cc(F)ccc2n1
InChIInChI=1S/C11H9ClFNO/c1-15-6-8-5-10(12)9-4-7(13)2-3-11(9)14-8/h2-5H,6H2,1H3
InChIKeyMEKNGYCGVALDQB-UHFFFAOYSA-N
XLogP3.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-(methoxymethyl)quinoline?
The IUPAC name of 4-chloro-6-fluoro-2-(methoxymethyl)quinoline (CID 62319376) is 4-chloro-6-fluoro-2-(methoxymethyl)quinoline.
What is the SMILES notation for 4-chloro-6-fluoro-2-(methoxymethyl)quinoline?
The canonical SMILES for 4-chloro-6-fluoro-2-(methoxymethyl)quinoline is COCc1cc(Cl)c2cc(F)ccc2n1.
What is the InChIKey of 4-chloro-6-fluoro-2-(methoxymethyl)quinoline?
The InChIKey is MEKNGYCGVALDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-15-6-8-5-10(12)9-4-7(13)2-3-11(9)14-8/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-6-fluoro-2-(methoxymethyl)quinoline?
4-chloro-6-fluoro-2-(methoxymethyl)quinoline has a molecular weight of 225.65 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-(methoxymethyl)quinoline is sourced from PubChem (CID 62319376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).