(1-formylnaphthalen-2-yl) 2-fluorobenzoate

C18H11FO3 — CID 40567233

IUPAC(1-formylnaphthalen-2-yl) 2-fluorobenzoate
SMILESO=Cc1c(OC(=O)c2ccccc2F)ccc2ccccc12
InChIInChI=1S/C18H11FO3/c19-16-8-4-3-7-14(16)18(21)22-17-10-9-12-5-1-2-6-13(12)15(17)11-20/h1-11H
InChIKeyFSJLJPZJLMOYSY-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.01
Rot. Bonds3

About (1-formylnaphthalen-2-yl) 2-fluorobenzoate

(1-formylnaphthalen-2-yl) 2-fluorobenzoate (PubChem CID 40567233) has the molecular formula C18H11FO3 and a molecular weight of 294.28 g/mol. Its IUPAC name is (1-formylnaphthalen-2-yl) 2-fluorobenzoate.

Molecular Properties

Compound Name(1-formylnaphthalen-2-yl) 2-fluorobenzoate
PubChem CID40567233
Molecular FormulaC18H11FO3
Molecular Weight294.28 g/mol
Exact Mass294.07
IUPAC Name(1-formylnaphthalen-2-yl) 2-fluorobenzoate
SMILESO=Cc1c(OC(=O)c2ccccc2F)ccc2ccccc12
InChIInChI=1S/C18H11FO3/c19-16-8-4-3-7-14(16)18(21)22-17-10-9-12-5-1-2-6-13(12)15(17)11-20/h1-11H
InChIKeyFSJLJPZJLMOYSY-UHFFFAOYSA-N
XLogP4.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-formylnaphthalen-2-yl) 2-fluorobenzoate?
The IUPAC name of (1-formylnaphthalen-2-yl) 2-fluorobenzoate (CID 40567233) is (1-formylnaphthalen-2-yl) 2-fluorobenzoate.
What is the SMILES notation for (1-formylnaphthalen-2-yl) 2-fluorobenzoate?
The canonical SMILES for (1-formylnaphthalen-2-yl) 2-fluorobenzoate is O=Cc1c(OC(=O)c2ccccc2F)ccc2ccccc12.
What is the InChIKey of (1-formylnaphthalen-2-yl) 2-fluorobenzoate?
The InChIKey is FSJLJPZJLMOYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FO3/c19-16-8-4-3-7-14(16)18(21)22-17-10-9-12-5-1-2-6-13(12)15(17)11-20/h1-11H.
What are the key properties of (1-formylnaphthalen-2-yl) 2-fluorobenzoate?
(1-formylnaphthalen-2-yl) 2-fluorobenzoate has a molecular weight of 294.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylnaphthalen-2-yl) 2-fluorobenzoate is sourced from PubChem (CID 40567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).