5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one

C11H8F3NO2 — CID 62810940

IUPAC5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCOCc1cc(=O)c2c(F)c(F)cc(F)c2[nH]1
InChIInChI=1S/C11H8F3NO2/c1-17-4-5-2-8(16)9-10(14)6(12)3-7(13)11(9)15-5/h2-3H,4H2,1H3,(H,15,16)
InChIKeyVLIMPNMBPHAHTI-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.09
Rot. Bonds2

About 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one

5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one (PubChem CID 62810940) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one
PubChem CID62810940
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCOCc1cc(=O)c2c(F)c(F)cc(F)c2[nH]1
InChIInChI=1S/C11H8F3NO2/c1-17-4-5-2-8(16)9-10(14)6(12)3-7(13)11(9)15-5/h2-3H,4H2,1H3,(H,15,16)
InChIKeyVLIMPNMBPHAHTI-UHFFFAOYSA-N
XLogP2.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The IUPAC name of 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one (CID 62810940) is 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one.
What is the SMILES notation for 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The canonical SMILES for 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one is COCc1cc(=O)c2c(F)c(F)cc(F)c2[nH]1.
What is the InChIKey of 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The InChIKey is VLIMPNMBPHAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-17-4-5-2-8(16)9-10(14)6(12)3-7(13)11(9)15-5/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one?
5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one has a molecular weight of 243.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one is sourced from PubChem (CID 62810940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).