5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole

C13H7F3N2O — CID 123601065

IUPAC5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole
SMILESFC(F)(F)c1ccccc1-c1ccc2nonc2c1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-4-2-1-3-9(10)8-5-6-11-12(7-8)18-19-17-11/h1-7H
InChIKeyGVAARZYINYPMLD-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.91
Rot. Bonds1

About 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole

5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole (PubChem CID 123601065) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole
PubChem CID123601065
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole
SMILESFC(F)(F)c1ccccc1-c1ccc2nonc2c1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-4-2-1-3-9(10)8-5-6-11-12(7-8)18-19-17-11/h1-7H
InChIKeyGVAARZYINYPMLD-UHFFFAOYSA-N
XLogP3.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 59800544
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
3-methyl-6-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 70796358
3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 175800117
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
CID 174480072
3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 58947587
2-iodo-1-(trifluoromethoxy)-4-[2-(trifluoromethyl)phenyl]benzene
CID 172676650
1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 134628313
2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
CID 53219065

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole (CID 123601065) is 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole is FC(F)(F)c1ccccc1-c1ccc2nonc2c1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole?
The InChIKey is GVAARZYINYPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)10-4-2-1-3-9(10)8-5-6-11-12(7-8)18-19-17-11/h1-7H.
What are the key properties of 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole?
5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole has a molecular weight of 264.21 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 123601065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).