(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate

C9H5FO4 — CID 69363266

IUPAC(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc2cc(F)ccc2o1
InChIInChI=1S/C9H5FO4/c10-6-1-2-7-5(3-6)4-8(13-7)14-9(11)12/h1-4H,(H,11,12)
InChIKeyDERLZQRZIKQUSA-UHFFFAOYSA-N
MW196.13 g/mol
LogP2.63
Rot. Bonds1

About (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate

(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate (PubChem CID 69363266) has the molecular formula C9H5FO4 and a molecular weight of 196.13 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate
PubChem CID69363266
Molecular FormulaC9H5FO4
Molecular Weight196.13 g/mol
Exact Mass196.02
IUPAC Name(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc2cc(F)ccc2o1
InChIInChI=1S/C9H5FO4/c10-6-1-2-7-5(3-6)4-8(13-7)14-9(11)12/h1-4H,(H,11,12)
InChIKeyDERLZQRZIKQUSA-UHFFFAOYSA-N
XLogP2.63
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate 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-fluoro-1-benzofuran-2-yl) hydrogen carbonate?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate (CID 69363266) is (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate is O=C(O)Oc1cc2cc(F)ccc2o1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate?
The InChIKey is DERLZQRZIKQUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO4/c10-6-1-2-7-5(3-6)4-8(13-7)14-9(11)12/h1-4H,(H,11,12).
What are the key properties of (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate?
(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate has a molecular weight of 196.13 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl) hydrogen carbonate is sourced from PubChem (CID 69363266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).