(2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

C15H10FNO5 — CID 2988193

IUPAC(2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
SMILESO=C(c1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2
InChIInChI=1S/C15H10FNO5/c16-11-4-2-1-3-9(11)15(18)10-7-13-14(22-6-5-21-13)8-12(10)17(19)20/h1-4,7-8H,5-6H2
InChIKeyXZJSKKMINTXKOK-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.74
Rot. Bonds3

About (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

(2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone (PubChem CID 2988193) has the molecular formula C15H10FNO5 and a molecular weight of 303.24 g/mol. Its IUPAC name is (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
PubChem CID2988193
Molecular FormulaC15H10FNO5
Molecular Weight303.24 g/mol
Exact Mass303.05
IUPAC Name(2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
SMILESO=C(c1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2
InChIInChI=1S/C15H10FNO5/c16-11-4-2-1-3-9(11)15(18)10-7-13-14(22-6-5-21-13)8-12(10)17(19)20/h1-4,7-8H,5-6H2
InChIKeyXZJSKKMINTXKOK-UHFFFAOYSA-N
XLogP2.74
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone (CID 2988193) is (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone is O=C(c1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2.
What is the InChIKey of (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
The InChIKey is XZJSKKMINTXKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO5/c16-11-4-2-1-3-9(11)15(18)10-7-13-14(22-6-5-21-13)8-12(10)17(19)20/h1-4,7-8H,5-6H2.
What are the key properties of (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
(2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone has a molecular weight of 303.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone is sourced from PubChem (CID 2988193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).