6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one

C10H7FO2 — CID 58082962

IUPAC6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESO=C1c2ccc(F)cc2OC12CC2
InChIInChI=1S/C10H7FO2/c11-6-1-2-7-8(5-6)13-10(3-4-10)9(7)12/h1-2,5H,3-4H2
InChIKeyGIZDPSNQCCUOFG-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.93
Rot. Bonds

About 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one

6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one (PubChem CID 58082962) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
PubChem CID58082962
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESO=C1c2ccc(F)cc2OC12CC2
InChIInChI=1S/C10H7FO2/c11-6-1-2-7-8(5-6)13-10(3-4-10)9(7)12/h1-2,5H,3-4H2
InChIKeyGIZDPSNQCCUOFG-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-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-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The IUPAC name of 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one (CID 58082962) is 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The canonical SMILES for 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one is O=C1c2ccc(F)cc2OC12CC2.
What is the InChIKey of 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The InChIKey is GIZDPSNQCCUOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2/c11-6-1-2-7-8(5-6)13-10(3-4-10)9(7)12/h1-2,5H,3-4H2.
What are the key properties of 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one has a molecular weight of 178.16 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 58082962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).