3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole

C9H5F3N2O2 — CID 137332624

IUPAC3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1cnon1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)15-8-4-2-1-3-6(8)7-5-13-16-14-7/h1-5H
InChIKeyRHMCQQGMANTYAF-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.64
Rot. Bonds2

About 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole

3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole (PubChem CID 137332624) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole
PubChem CID137332624
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1cnon1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)15-8-4-2-1-3-6(8)7-5-13-16-14-7/h1-5H
InChIKeyRHMCQQGMANTYAF-UHFFFAOYSA-N
XLogP2.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597
5-iodo-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134630200
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 54883856
2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 134620549
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
CID 162334552
2,4-dimethyl-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 119020699
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 71283944

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole (CID 137332624) is 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole is FC(F)(F)Oc1ccccc1-c1cnon1.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole?
The InChIKey is RHMCQQGMANTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)15-8-4-2-1-3-6(8)7-5-13-16-14-7/h1-5H.
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole?
3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole has a molecular weight of 230.15 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole is sourced from PubChem (CID 137332624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).