9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline

C19H9F3N2 — CID 12624102

IUPAC9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline
SMILESFC(F)(F)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C19H9F3N2/c20-19(21,22)11-7-8-14-15(9-11)24-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)23-14/h1-9H
InChIKeyUDLKVLXSHAGGEQ-UHFFFAOYSA-N
MW322.29 g/mol
LogP5.45
Rot. Bonds

About 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline

9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline (PubChem CID 12624102) has the molecular formula C19H9F3N2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline
PubChem CID12624102
Molecular FormulaC19H9F3N2
Molecular Weight322.29 g/mol
Exact Mass322.07
IUPAC Name9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline
SMILESFC(F)(F)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C19H9F3N2/c20-19(21,22)11-7-8-14-15(9-11)24-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)23-14/h1-9H
InChIKeyUDLKVLXSHAGGEQ-UHFFFAOYSA-N
XLogP5.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline (CID 12624102) is 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline is FC(F)(F)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline?
The InChIKey is UDLKVLXSHAGGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F3N2/c20-19(21,22)11-7-8-14-15(9-11)24-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)23-14/h1-9H.
What are the key properties of 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline?
9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline has a molecular weight of 322.29 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)acenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 12624102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).