1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

C12H15FN2O — CID 82392206

IUPAC1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(F)cc2NCC1(C)C
InChIInChI=1S/C12H15FN2O/c1-8(16)15-11-5-4-9(13)6-10(11)14-7-12(15,2)3/h4-6,14H,7H2,1-3H3
InChIKeyAAROULCGRJEKLM-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.38
Rot. Bonds

About 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (PubChem CID 82392206) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
PubChem CID82392206
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(F)cc2NCC1(C)C
InChIInChI=1S/C12H15FN2O/c1-8(16)15-11-5-4-9(13)6-10(11)14-7-12(15,2)3/h4-6,14H,7H2,1-3H3
InChIKeyAAROULCGRJEKLM-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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Related Compounds

1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 82393197
1-(7-chloro-2,2,5-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 84634803
1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone
CID 82392213
7-fluoro-3,3-dimethyl-1-pentyl-4,5-dihydro-2H-1,5-benzodiazepine
CID 117016000
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834
4-(2-chloroacetyl)-7-fluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 52988151
7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097804
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
7-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
CID 11961604
2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84629074
6-fluoro-2,3-dimethyl-1,2-dihydrobenzimidazole
CID 143791646
2-[(7-fluoro-3-methyl-4-oxo-1,2-dihydroquinolin-3-yl)sulfinyl]acetic acid
CID 23438868

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (CID 82392206) is 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is CC(=O)N1c2ccc(F)cc2NCC1(C)C.
What is the InChIKey of 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is AAROULCGRJEKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(16)15-11-5-4-9(13)6-10(11)14-7-12(15,2)3/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
1-(6-fluoro-2,2-dimethyl-3,4-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-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 82392206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).