2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole

C13H7F3N2O2S — CID 70145048

IUPAC2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2csc(-c3nnco3)c2)cc1
InChIInChI=1S/C13H7F3N2O2S/c14-13(15,16)8-1-3-9(4-2-8)20-10-5-11(21-6-10)12-18-17-7-19-12/h1-7H
InChIKeyNPUYJPBKPOGUKR-UHFFFAOYSA-N
MW312.27 g/mol
LogP4.61
Rot. Bonds3

About 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole

2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole (PubChem CID 70145048) has the molecular formula C13H7F3N2O2S and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole
PubChem CID70145048
Molecular FormulaC13H7F3N2O2S
Molecular Weight312.27 g/mol
Exact Mass312.02
IUPAC Name2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2csc(-c3nnco3)c2)cc1
InChIInChI=1S/C13H7F3N2O2S/c14-13(15,16)8-1-3-9(4-2-8)20-10-5-11(21-6-10)12-18-17-7-19-12/h1-7H
InChIKeyNPUYJPBKPOGUKR-UHFFFAOYSA-N
XLogP4.61
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
CID 18516213
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 171373550
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
CID 163697697
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233520
4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
CID 141057638
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607
2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine
CID 117188911
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxylic acid
CID 117189251
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole (CID 70145048) is 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(Oc2csc(-c3nnco3)c2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole?
The InChIKey is NPUYJPBKPOGUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2S/c14-13(15,16)8-1-3-9(4-2-8)20-10-5-11(21-6-10)12-18-17-7-19-12/h1-7H.
What are the key properties of 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole?
2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole has a molecular weight of 312.27 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)phenoxy]thiophen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 70145048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).