4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol

C9H5F3N2O2 — CID 135750113

IUPAC4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-7(14-16-8)5-1-3-6(15)4-2-5/h1-4,15H
InChIKeyDHTGEEMLNWMWLC-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.46
Rot. Bonds1

About 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol

4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135750113) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135750113
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-7(14-16-8)5-1-3-6(15)4-2-5/h1-4,15H
InChIKeyDHTGEEMLNWMWLC-UHFFFAOYSA-N
XLogP2.46
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 135750113) is 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is DHTGEEMLNWMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-7(14-16-8)5-1-3-6(15)4-2-5/h1-4,15H.
What are the key properties of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 230.15 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135750113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).