(4-fluoro-1-benzofuran-3-yl)methyl formate

C10H7FO3 — CID 91150142

IUPAC(4-fluoro-1-benzofuran-3-yl)methyl formate
SMILESO=COCc1coc2cccc(F)c12
InChIInChI=1S/C10H7FO3/c11-8-2-1-3-9-10(8)7(5-14-9)4-13-6-12/h1-3,5-6H,4H2
InChIKeyVCZSWJAVFVNMHT-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.24
Rot. Bonds3

About (4-fluoro-1-benzofuran-3-yl)methyl formate

(4-fluoro-1-benzofuran-3-yl)methyl formate (PubChem CID 91150142) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is (4-fluoro-1-benzofuran-3-yl)methyl formate.

Molecular Properties

Compound Name(4-fluoro-1-benzofuran-3-yl)methyl formate
PubChem CID91150142
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name(4-fluoro-1-benzofuran-3-yl)methyl formate
SMILESO=COCc1coc2cccc(F)c12
InChIInChI=1S/C10H7FO3/c11-8-2-1-3-9-10(8)7(5-14-9)4-13-6-12/h1-3,5-6H,4H2
InChIKeyVCZSWJAVFVNMHT-UHFFFAOYSA-N
XLogP2.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-benzofuran-3-yl)methyl formate?
The IUPAC name of (4-fluoro-1-benzofuran-3-yl)methyl formate (CID 91150142) is (4-fluoro-1-benzofuran-3-yl)methyl formate.
What is the SMILES notation for (4-fluoro-1-benzofuran-3-yl)methyl formate?
The canonical SMILES for (4-fluoro-1-benzofuran-3-yl)methyl formate is O=COCc1coc2cccc(F)c12.
What is the InChIKey of (4-fluoro-1-benzofuran-3-yl)methyl formate?
The InChIKey is VCZSWJAVFVNMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c11-8-2-1-3-9-10(8)7(5-14-9)4-13-6-12/h1-3,5-6H,4H2.
What are the key properties of (4-fluoro-1-benzofuran-3-yl)methyl formate?
(4-fluoro-1-benzofuran-3-yl)methyl formate has a molecular weight of 194.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-benzofuran-3-yl)methyl formate is sourced from PubChem (CID 91150142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).