5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

C9H6F2N2O2 — CID 151690443

IUPAC5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(C(F)F)c2)o1
InChIInChI=1S/C9H6F2N2O2/c10-7(11)5-2-1-3-6(4-5)8-12-13-9(14)15-8/h1-4,7H,(H,13,14)
InChIKeyRCLFYANMOKILQT-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.97
Rot. Bonds2

About 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 151690443) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID151690443
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(C(F)F)c2)o1
InChIInChI=1S/C9H6F2N2O2/c10-7(11)5-2-1-3-6(4-5)8-12-13-9(14)15-8/h1-4,7H,(H,13,14)
InChIKeyRCLFYANMOKILQT-UHFFFAOYSA-N
XLogP1.97
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 151690443) is 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cccc(C(F)F)c2)o1.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RCLFYANMOKILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-7(11)5-2-1-3-6(4-5)8-12-13-9(14)15-8/h1-4,7H,(H,13,14).
What are the key properties of 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 212.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 151690443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).