8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one

C18H10F4N2O — CID 162546926

IUPAC8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one
SMILESO=C1N=CCn2c1cc1cc(F)cc(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C18H10F4N2O/c19-13-7-11-8-15-17(25)23-5-6-24(15)16(11)14(9-13)10-1-3-12(4-2-10)18(20,21)22/h1-5,7-9H,6H2
InChIKeyBALDSUZIQUAUSC-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.69
Rot. Bonds1

About 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one

8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one (PubChem CID 162546926) has the molecular formula C18H10F4N2O and a molecular weight of 346.28 g/mol. Its IUPAC name is 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one
PubChem CID162546926
Molecular FormulaC18H10F4N2O
Molecular Weight346.28 g/mol
Exact Mass346.07
IUPAC Name8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one
SMILESO=C1N=CCn2c1cc1cc(F)cc(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C18H10F4N2O/c19-13-7-11-8-15-17(25)23-5-6-24(15)16(11)14(9-13)10-1-3-12(4-2-10)18(20,21)22/h1-5,7-9H,6H2
InChIKeyBALDSUZIQUAUSC-UHFFFAOYSA-N
XLogP4.69
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one (CID 162546926) is 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one is O=C1N=CCn2c1cc1cc(F)cc(-c3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one?
The InChIKey is BALDSUZIQUAUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N2O/c19-13-7-11-8-15-17(25)23-5-6-24(15)16(11)14(9-13)10-1-3-12(4-2-10)18(20,21)22/h1-5,7-9H,6H2.
What are the key properties of 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one?
8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one has a molecular weight of 346.28 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[4-(trifluoromethyl)phenyl]-4H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 162546926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).