8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C18H11F5N2O — CID 73335312

IUPAC8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1c(C(F)(F)F)c1cc(F)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H11F5N2O/c19-10-3-1-9(2-4-10)12-7-11(20)8-13-14(18(21,22)23)16-17(26)24-5-6-25(16)15(12)13/h1-4,7-8H,5-6H2,(H,24,26)
InChIKeyLMGTTWDIKXXUGU-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.35
Rot. Bonds1

About 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 73335312) has the molecular formula C18H11F5N2O and a molecular weight of 366.29 g/mol. Its IUPAC name is 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID73335312
Molecular FormulaC18H11F5N2O
Molecular Weight366.29 g/mol
Exact Mass366.08
IUPAC Name8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1c(C(F)(F)F)c1cc(F)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H11F5N2O/c19-10-3-1-9(2-4-10)12-7-11(20)8-13-14(18(21,22)23)16-17(26)24-5-6-25(16)15(12)13/h1-4,7-8H,5-6H2,(H,24,26)
InChIKeyLMGTTWDIKXXUGU-UHFFFAOYSA-N
XLogP4.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 73335312) is 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is O=C1NCCn2c1c(C(F)(F)F)c1cc(F)cc(-c3ccc(F)cc3)c12.
What is the InChIKey of 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is LMGTTWDIKXXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O/c19-10-3-1-9(2-4-10)12-7-11(20)8-13-14(18(21,22)23)16-17(26)24-5-6-25(16)15(12)13/h1-4,7-8H,5-6H2,(H,24,26).
What are the key properties of 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 366.29 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 73335312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).