7-fluoro-2,1-benzoxazole-3-carboxylic acid

C8H4FNO3 — CID 84657689

IUPAC7-fluoro-2,1-benzoxazole-3-carboxylic acid
SMILESO=C(O)c1onc2c(F)cccc12
InChIInChI=1S/C8H4FNO3/c9-5-3-1-2-4-6(5)10-13-7(4)8(11)12/h1-3H,(H,11,12)
InChIKeyRZNYRPFBFCJZFM-UHFFFAOYSA-N
MW181.12 g/mol
LogP1.67
Rot. Bonds1

About 7-fluoro-2,1-benzoxazole-3-carboxylic acid

7-fluoro-2,1-benzoxazole-3-carboxylic acid (PubChem CID 84657689) has the molecular formula C8H4FNO3 and a molecular weight of 181.12 g/mol. Its IUPAC name is 7-fluoro-2,1-benzoxazole-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2,1-benzoxazole-3-carboxylic acid
PubChem CID84657689
Molecular FormulaC8H4FNO3
Molecular Weight181.12 g/mol
Exact Mass181.02
IUPAC Name7-fluoro-2,1-benzoxazole-3-carboxylic acid
SMILESO=C(O)c1onc2c(F)cccc12
InChIInChI=1S/C8H4FNO3/c9-5-3-1-2-4-6(5)10-13-7(4)8(11)12/h1-3H,(H,11,12)
InChIKeyRZNYRPFBFCJZFM-UHFFFAOYSA-N
XLogP1.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,1-benzoxazole-3-carboxylic acid?
The IUPAC name of 7-fluoro-2,1-benzoxazole-3-carboxylic acid (CID 84657689) is 7-fluoro-2,1-benzoxazole-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-2,1-benzoxazole-3-carboxylic acid?
The canonical SMILES for 7-fluoro-2,1-benzoxazole-3-carboxylic acid is O=C(O)c1onc2c(F)cccc12.
What is the InChIKey of 7-fluoro-2,1-benzoxazole-3-carboxylic acid?
The InChIKey is RZNYRPFBFCJZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO3/c9-5-3-1-2-4-6(5)10-13-7(4)8(11)12/h1-3H,(H,11,12).
What are the key properties of 7-fluoro-2,1-benzoxazole-3-carboxylic acid?
7-fluoro-2,1-benzoxazole-3-carboxylic acid has a molecular weight of 181.12 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,1-benzoxazole-3-carboxylic acid is sourced from PubChem (CID 84657689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).