(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]

C17H13FO2 — CID 122361270

IUPAC(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]
SMILESFc1ccc([C@H]2C=C[C@@]3(COc4ccccc43)O2)cc1
InChIInChI=1S/C17H13FO2/c18-13-7-5-12(6-8-13)15-9-10-17(20-15)11-19-16-4-2-1-3-14(16)17/h1-10,15H,11H2/t15-,17+/m1/s1
InChIKeyXOIRHDNXRUDNST-WBVHZDCISA-N
MW268.29 g/mol
LogP3.74
Rot. Bonds1

About (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]

(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan] (PubChem CID 122361270) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan].

Molecular Properties

Compound Name(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]
PubChem CID122361270
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]
SMILESFc1ccc([C@H]2C=C[C@@]3(COc4ccccc43)O2)cc1
InChIInChI=1S/C17H13FO2/c18-13-7-5-12(6-8-13)15-9-10-17(20-15)11-19-16-4-2-1-3-14(16)17/h1-10,15H,11H2/t15-,17+/m1/s1
InChIKeyXOIRHDNXRUDNST-WBVHZDCISA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]?
The IUPAC name of (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan] (CID 122361270) is (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan].
What is the SMILES notation for (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]?
The canonical SMILES for (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan] is Fc1ccc([C@H]2C=C[C@@]3(COc4ccccc43)O2)cc1.
What is the InChIKey of (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]?
The InChIKey is XOIRHDNXRUDNST-WBVHZDCISA-N. The full InChI is InChI=1S/C17H13FO2/c18-13-7-5-12(6-8-13)15-9-10-17(20-15)11-19-16-4-2-1-3-14(16)17/h1-10,15H,11H2/t15-,17+/m1/s1.
What are the key properties of (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]?
(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan] has a molecular weight of 268.29 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan] is sourced from PubChem (CID 122361270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).