(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate

C18H12BrFO2 — CID 7918557

IUPAC(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C18H12BrFO2/c19-18-14-7-3-1-5-12(14)9-10-16(18)22-17(21)11-13-6-2-4-8-15(13)20/h1-10H,11H2
InChIKeyWDCSNNLEKSQSJK-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.89
Rot. Bonds3

About (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate

(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate (PubChem CID 7918557) has the molecular formula C18H12BrFO2 and a molecular weight of 359.19 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate
PubChem CID7918557
Molecular FormulaC18H12BrFO2
Molecular Weight359.19 g/mol
Exact Mass358.00
IUPAC Name(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C18H12BrFO2/c19-18-14-7-3-1-5-12(14)9-10-16(18)22-17(21)11-13-6-2-4-8-15(13)20/h1-10H,11H2
InChIKeyWDCSNNLEKSQSJK-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate?
The IUPAC name of (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate (CID 7918557) is (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate?
The canonical SMILES for (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)Oc1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate?
The InChIKey is WDCSNNLEKSQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFO2/c19-18-14-7-3-1-5-12(14)9-10-16(18)22-17(21)11-13-6-2-4-8-15(13)20/h1-10H,11H2.
What are the key properties of (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate?
(1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate has a molecular weight of 359.19 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl) 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 7918557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).