methyl 5-fluoro-2-naphthalen-1-ylbenzoate

C18H13FO2 — CID 141376687

IUPACmethyl 5-fluoro-2-naphthalen-1-ylbenzoate
SMILESCOC(=O)c1cc(F)ccc1-c1cccc2ccccc12
InChIInChI=1S/C18H13FO2/c1-21-18(20)17-11-13(19)9-10-16(17)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3
InChIKeyHJZDWQVHFFTNEE-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.43
Rot. Bonds2

About methyl 5-fluoro-2-naphthalen-1-ylbenzoate

methyl 5-fluoro-2-naphthalen-1-ylbenzoate (PubChem CID 141376687) has the molecular formula C18H13FO2 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 5-fluoro-2-naphthalen-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-naphthalen-1-ylbenzoate
PubChem CID141376687
Molecular FormulaC18H13FO2
Molecular Weight280.30 g/mol
Exact Mass280.09
IUPAC Namemethyl 5-fluoro-2-naphthalen-1-ylbenzoate
SMILESCOC(=O)c1cc(F)ccc1-c1cccc2ccccc12
InChIInChI=1S/C18H13FO2/c1-21-18(20)17-11-13(19)9-10-16(17)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3
InChIKeyHJZDWQVHFFTNEE-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 5-fluoro-2-naphthalen-1-ylbenzoate 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 methyl 5-fluoro-2-naphthalen-1-ylbenzoate?
The IUPAC name of methyl 5-fluoro-2-naphthalen-1-ylbenzoate (CID 141376687) is methyl 5-fluoro-2-naphthalen-1-ylbenzoate.
What is the SMILES notation for methyl 5-fluoro-2-naphthalen-1-ylbenzoate?
The canonical SMILES for methyl 5-fluoro-2-naphthalen-1-ylbenzoate is COC(=O)c1cc(F)ccc1-c1cccc2ccccc12.
What is the InChIKey of methyl 5-fluoro-2-naphthalen-1-ylbenzoate?
The InChIKey is HJZDWQVHFFTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2/c1-21-18(20)17-11-13(19)9-10-16(17)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3.
What are the key properties of methyl 5-fluoro-2-naphthalen-1-ylbenzoate?
methyl 5-fluoro-2-naphthalen-1-ylbenzoate has a molecular weight of 280.30 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-naphthalen-1-ylbenzoate is sourced from PubChem (CID 141376687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).