5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one

C9H6F2N2O3 — CID 170565276

IUPAC5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(COc2cccc(F)c2F)o1
InChIInChI=1S/C9H6F2N2O3/c10-5-2-1-3-6(8(5)11)15-4-7-12-13-9(14)16-7/h1-3H,4H2,(H,13,14)
InChIKeyRLDSJXNWELYKGN-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.22
Rot. Bonds3

About 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one

5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 170565276) has the molecular formula C9H6F2N2O3 and a molecular weight of 228.15 g/mol. Its IUPAC name is 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID170565276
Molecular FormulaC9H6F2N2O3
Molecular Weight228.15 g/mol
Exact Mass228.03
IUPAC Name5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(COc2cccc(F)c2F)o1
InChIInChI=1S/C9H6F2N2O3/c10-5-2-1-3-6(8(5)11)15-4-7-12-13-9(14)16-7/h1-3H,4H2,(H,13,14)
InChIKeyRLDSJXNWELYKGN-UHFFFAOYSA-N
XLogP1.22
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one (CID 170565276) is 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(COc2cccc(F)c2F)o1.
What is the InChIKey of 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RLDSJXNWELYKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O3/c10-5-2-1-3-6(8(5)11)15-4-7-12-13-9(14)16-7/h1-3H,4H2,(H,13,14).
What are the key properties of 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one?
5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 228.15 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenoxy)methyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 170565276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).