1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone

C12H15FN2O — CID 82392213

IUPAC1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)Nc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-8(16)15-7-12(2,3)14-10-5-4-9(13)6-11(10)15/h4-6,14H,7H2,1-3H3
InChIKeyGHKNXMGMNLPUGP-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.38
Rot. Bonds

About 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone

1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone (PubChem CID 82392213) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone
PubChem CID82392213
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)Nc2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-8(16)15-7-12(2,3)14-10-5-4-9(13)6-11(10)15/h4-6,14H,7H2,1-3H3
InChIKeyGHKNXMGMNLPUGP-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone (CID 82392213) is 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone is CC(=O)N1CC(C)(C)Nc2ccc(F)cc21.
What is the InChIKey of 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is GHKNXMGMNLPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(16)15-7-12(2,3)14-10-5-4-9(13)6-11(10)15/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone?
1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 82392213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).