1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran

C14H10FIO — CID 56932727

IUPAC1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(I)ccc32)cc1
InChIInChI=1S/C14H10FIO/c15-11-3-1-9(2-4-11)14-13-6-5-12(16)7-10(13)8-17-14/h1-7,14H,8H2
InChIKeyCOZANRXIPUUQQW-UHFFFAOYSA-N
MW340.14 g/mol
LogP4.05
Rot. Bonds1

About 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran

1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran (PubChem CID 56932727) has the molecular formula C14H10FIO and a molecular weight of 340.14 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran
PubChem CID56932727
Molecular FormulaC14H10FIO
Molecular Weight340.14 g/mol
Exact Mass339.98
IUPAC Name1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(I)ccc32)cc1
InChIInChI=1S/C14H10FIO/c15-11-3-1-9(2-4-11)14-13-6-5-12(16)7-10(13)8-17-14/h1-7,14H,8H2
InChIKeyCOZANRXIPUUQQW-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran (CID 56932727) is 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran is Fc1ccc(C2OCc3cc(I)ccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran?
The InChIKey is COZANRXIPUUQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIO/c15-11-3-1-9(2-4-11)14-13-6-5-12(16)7-10(13)8-17-14/h1-7,14H,8H2.
What are the key properties of 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran?
1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran has a molecular weight of 340.14 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-iodo-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 56932727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).