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

C15H10FNO — CID 21339438

IUPAC1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran
SMILES[C-]#[N+]c1ccc2c(c1)COC2c1ccc(F)cc1
InChIInChI=1S/C15H10FNO/c1-17-13-6-7-14-11(8-13)9-18-15(14)10-2-4-12(16)5-3-10/h2-8,15H,9H2
InChIKeyUONVWOCAFACOCG-UHFFFAOYSA-N
MW239.25 g/mol
LogP4.00
Rot. Bonds1

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

1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran (PubChem CID 21339438) has the molecular formula C15H10FNO and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran
PubChem CID21339438
Molecular FormulaC15H10FNO
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran
SMILES[C-]#[N+]c1ccc2c(c1)COC2c1ccc(F)cc1
InChIInChI=1S/C15H10FNO/c1-17-13-6-7-14-11(8-13)9-18-15(14)10-2-4-12(16)5-3-10/h2-8,15H,9H2
InChIKeyUONVWOCAFACOCG-UHFFFAOYSA-N
XLogP4.00
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran (CID 21339438) is 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran is [C-]#[N+]c1ccc2c(c1)COC2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran?
The InChIKey is UONVWOCAFACOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO/c1-17-13-6-7-14-11(8-13)9-18-15(14)10-2-4-12(16)5-3-10/h2-8,15H,9H2.
What are the key properties of 1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran?
1-(4-fluorophenyl)-5-isocyano-1,3-dihydro-2-benzofuran has a molecular weight of 239.25 g/mol, XLogP of 4.00, 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-isocyano-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 21339438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).