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

C9H5F3N2O2 — CID 175700469

IUPAC3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1cccc(-c2nnc(C(F)(F)F)o2)c1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)8-14-13-7(16-8)5-2-1-3-6(15)4-5/h1-4,15H
InChIKeyOMCFTBSVQYMRDE-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.46
Rot. Bonds1

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

3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 175700469) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID175700469
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1cccc(-c2nnc(C(F)(F)F)o2)c1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)8-14-13-7(16-8)5-2-1-3-6(15)4-5/h1-4,15H
InChIKeyOMCFTBSVQYMRDE-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 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol (CID 175700469) is 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1cccc(-c2nnc(C(F)(F)F)o2)c1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is OMCFTBSVQYMRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)8-14-13-7(16-8)5-2-1-3-6(15)4-5/h1-4,15H.
What are the key properties of 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol?
3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-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 3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 175700469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).