6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline

C12H17FN2 — CID 166553115

IUPAC6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline
SMILESCC(C)N1CCN(C)c2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-9(2)15-7-6-14(3)12-8-10(13)4-5-11(12)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKIFDJRRCKONTOY-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.49
Rot. Bonds1

About 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline

6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline (PubChem CID 166553115) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline
PubChem CID166553115
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline
SMILESCC(C)N1CCN(C)c2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-9(2)15-7-6-14(3)12-8-10(13)4-5-11(12)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKIFDJRRCKONTOY-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline
CID 22041393
1-methyl-4,6-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazin-6-ium
CID 167396240
6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84618553
2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727
1,4-dimethyl-6-propan-2-yl-2,3-dihydroquinoxaline
CID 58398104
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
CID 63778940
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 119899739
methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate
CID 124588513
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline?
The IUPAC name of 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline (CID 166553115) is 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline.
What is the SMILES notation for 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline?
The canonical SMILES for 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline is CC(C)N1CCN(C)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline?
The InChIKey is KIFDJRRCKONTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9(2)15-7-6-14(3)12-8-10(13)4-5-11(12)15/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline?
6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline has a molecular weight of 208.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline is sourced from PubChem (CID 166553115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).