7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one

C7H4FNO3 — CID 84653291

IUPAC7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(O)cc(F)c2o1
InChIInChI=1S/C7H4FNO3/c8-4-1-3(10)2-5-6(4)12-7(11)9-5/h1-2,10H,(H,9,11)
InChIKeyISJYTWIQSPNSDZ-UHFFFAOYSA-N
MW169.11 g/mol
LogP0.97
Rot. Bonds

About 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one

7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one (PubChem CID 84653291) has the molecular formula C7H4FNO3 and a molecular weight of 169.11 g/mol. Its IUPAC name is 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one
PubChem CID84653291
Molecular FormulaC7H4FNO3
Molecular Weight169.11 g/mol
Exact Mass169.02
IUPAC Name7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(O)cc(F)c2o1
InChIInChI=1S/C7H4FNO3/c8-4-1-3(10)2-5-6(4)12-7(11)9-5/h1-2,10H,(H,9,11)
InChIKeyISJYTWIQSPNSDZ-UHFFFAOYSA-N
XLogP0.97
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.11
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one (CID 84653291) is 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(O)cc(F)c2o1.
What is the InChIKey of 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one?
The InChIKey is ISJYTWIQSPNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3/c8-4-1-3(10)2-5-6(4)12-7(11)9-5/h1-2,10H,(H,9,11).
What are the key properties of 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one?
7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one has a molecular weight of 169.11 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-hydroxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 84653291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).