8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one

C13H12F2N2O — CID 169110487

IUPAC8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one
SMILESCc1ccc2nc(C3CC(F)C3)c(=O)[nH]c2c1F
InChIInChI=1S/C13H12F2N2O/c1-6-2-3-9-12(10(6)15)17-13(18)11(16-9)7-4-8(14)5-7/h2-3,7-8H,4-5H2,1H3,(H,17,18)
InChIKeyRJCOVLMQYSDBKF-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.59
Rot. Bonds1

About 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one

8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one (PubChem CID 169110487) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one
PubChem CID169110487
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one
SMILESCc1ccc2nc(C3CC(F)C3)c(=O)[nH]c2c1F
InChIInChI=1S/C13H12F2N2O/c1-6-2-3-9-12(10(6)15)17-13(18)11(16-9)7-4-8(14)5-7/h2-3,7-8H,4-5H2,1H3,(H,17,18)
InChIKeyRJCOVLMQYSDBKF-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one?
The IUPAC name of 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one (CID 169110487) is 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one is Cc1ccc2nc(C3CC(F)C3)c(=O)[nH]c2c1F.
What is the InChIKey of 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one?
The InChIKey is RJCOVLMQYSDBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-6-2-3-9-12(10(6)15)17-13(18)11(16-9)7-4-8(14)5-7/h2-3,7-8H,4-5H2,1H3,(H,17,18).
What are the key properties of 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one?
8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one has a molecular weight of 250.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 169110487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).