6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline

C12H17FN2 — CID 115095185

IUPAC6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C(C)C)c2cc(F)ccc2N1
InChIInChI=1S/C12H17FN2/c1-8(2)15-7-9(3)14-11-5-4-10(13)6-12(11)15/h4-6,8-9,14H,7H2,1-3H3
InChIKeyRLSFGYRWWMSOEW-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.85
Rot. Bonds1

About 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline

6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 115095185) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
PubChem CID115095185
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C(C)C)c2cc(F)ccc2N1
InChIInChI=1S/C12H17FN2/c1-8(2)15-7-9(3)14-11-5-4-10(13)6-12(11)15/h4-6,8-9,14H,7H2,1-3H3
InChIKeyRLSFGYRWWMSOEW-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline (CID 115095185) is 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline is CC1CN(C(C)C)c2cc(F)ccc2N1.
What is the InChIKey of 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is RLSFGYRWWMSOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8(2)15-7-9(3)14-11-5-4-10(13)6-12(11)15/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 208.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115095185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).