(2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline

C16H16BrFN2 — CID 118078848

IUPAC(2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline
SMILESC[C@H]1CN(Cc2ccccc2F)c2cc(Br)ccc2N1
InChIInChI=1S/C16H16BrFN2/c1-11-9-20(10-12-4-2-3-5-14(12)18)16-8-13(17)6-7-15(16)19-11/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1
InChIKeyWNVNYFJXUZBUSP-NSHDSACASA-N
MW335.22 g/mol
LogP4.41
Rot. Bonds2

About (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline

(2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 118078848) has the molecular formula C16H16BrFN2 and a molecular weight of 335.22 g/mol. Its IUPAC name is (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name(2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID118078848
Molecular FormulaC16H16BrFN2
Molecular Weight335.22 g/mol
Exact Mass334.05
IUPAC Name(2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline
SMILESC[C@H]1CN(Cc2ccccc2F)c2cc(Br)ccc2N1
InChIInChI=1S/C16H16BrFN2/c1-11-9-20(10-12-4-2-3-5-14(12)18)16-8-13(17)6-7-15(16)19-11/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1
InChIKeyWNVNYFJXUZBUSP-NSHDSACASA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline (CID 118078848) is (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline is C[C@H]1CN(Cc2ccccc2F)c2cc(Br)ccc2N1.
What is the InChIKey of (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is WNVNYFJXUZBUSP-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrFN2/c1-11-9-20(10-12-4-2-3-5-14(12)18)16-8-13(17)6-7-15(16)19-11/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline?
(2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 335.22 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-bromo-4-[(2-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 118078848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).