8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine

C16H8F3N3 — CID 134841524

IUPAC8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine
SMILESFC(F)(F)c1nc2ccc3nccnc3c2c2ccccc12
InChIInChI=1S/C16H8F3N3/c17-16(18,19)15-10-4-2-1-3-9(10)13-11(22-15)5-6-12-14(13)21-8-7-20-12/h1-8H
InChIKeyMEGHIFKOAJBKJX-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.35
Rot. Bonds

About 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine

8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine (PubChem CID 134841524) has the molecular formula C16H8F3N3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine.

Molecular Properties

Compound Name8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine
PubChem CID134841524
Molecular FormulaC16H8F3N3
Molecular Weight299.25 g/mol
Exact Mass299.07
IUPAC Name8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine
SMILESFC(F)(F)c1nc2ccc3nccnc3c2c2ccccc12
InChIInChI=1S/C16H8F3N3/c17-16(18,19)15-10-4-2-1-3-9(10)13-11(22-15)5-6-12-14(13)21-8-7-20-12/h1-8H
InChIKeyMEGHIFKOAJBKJX-UHFFFAOYSA-N
XLogP4.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine?
The IUPAC name of 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine (CID 134841524) is 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine.
What is the SMILES notation for 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine?
The canonical SMILES for 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine is FC(F)(F)c1nc2ccc3nccnc3c2c2ccccc12.
What is the InChIKey of 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine?
The InChIKey is MEGHIFKOAJBKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3/c17-16(18,19)15-10-4-2-1-3-9(10)13-11(22-15)5-6-12-14(13)21-8-7-20-12/h1-8H.
What are the key properties of 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine?
8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine has a molecular weight of 299.25 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)pyrazino[2,3-a]phenanthridine is sourced from PubChem (CID 134841524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).