6-fluoro-3H-1,3-benzoxazol-2-one

C7H4FNO2 — CID 14457358

IUPAC6-fluoro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2o1
InChIInChI=1S/C7H4FNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKeyXFHJMCQRLBZIDO-UHFFFAOYSA-N
MW153.11 g/mol
LogP1.26
Rot. Bonds

About 6-fluoro-3H-1,3-benzoxazol-2-one

6-fluoro-3H-1,3-benzoxazol-2-one (PubChem CID 14457358) has the molecular formula C7H4FNO2 and a molecular weight of 153.11 g/mol. Its IUPAC name is 6-fluoro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-fluoro-3H-1,3-benzoxazol-2-one
PubChem CID14457358
Molecular FormulaC7H4FNO2
Molecular Weight153.11 g/mol
Exact Mass153.02
IUPAC Name6-fluoro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2o1
InChIInChI=1S/C7H4FNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKeyXFHJMCQRLBZIDO-UHFFFAOYSA-N
XLogP1.26
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3H-1,3-benzoxazol-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 6-fluoro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-fluoro-3H-1,3-benzoxazol-2-one (CID 14457358) is 6-fluoro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-fluoro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-fluoro-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(F)cc2o1.
What is the InChIKey of 6-fluoro-3H-1,3-benzoxazol-2-one?
The InChIKey is XFHJMCQRLBZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10).
What are the key properties of 6-fluoro-3H-1,3-benzoxazol-2-one?
6-fluoro-3H-1,3-benzoxazol-2-one has a molecular weight of 153.11 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 14457358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).