2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol

C13H17F3N2O — CID 117235999

IUPAC2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCNc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H17F3N2O/c1-12(2,19)8-18-7-6-17-10-5-3-4-9(11(10)18)13(14,15)16/h3-5,17,19H,6-8H2,1-2H3
InChIKeyWPEQZPHTRCQAJC-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol

2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol (PubChem CID 117235999) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol
PubChem CID117235999
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCNc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H17F3N2O/c1-12(2,19)8-18-7-6-17-10-5-3-4-9(11(10)18)13(14,15)16/h3-5,17,19H,6-8H2,1-2H3
InChIKeyWPEQZPHTRCQAJC-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol (CID 117235999) is 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol is CC(C)(O)CN1CCNc2cccc(C(F)(F)F)c21.
What is the InChIKey of 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol?
The InChIKey is WPEQZPHTRCQAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2,19)8-18-7-6-17-10-5-3-4-9(11(10)18)13(14,15)16/h3-5,17,19H,6-8H2,1-2H3.
What are the key properties of 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol?
2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol has a molecular weight of 274.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 117235999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).