[(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate

C21H17FO2 — CID 100927903

IUPAC[(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate
SMILESCC(=O)OC(/C(F)=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H17FO2/c1-15(23)24-21(17-9-3-2-4-10-17)20(22)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-14,21H,1H3/b20-14-
InChIKeyXPNAFJPLDFKNCY-ZHZULCJRSA-N
MW320.36 g/mol
LogP5.45
Rot. Bonds4

About [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate

[(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate (PubChem CID 100927903) has the molecular formula C21H17FO2 and a molecular weight of 320.36 g/mol. Its IUPAC name is [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate
PubChem CID100927903
Molecular FormulaC21H17FO2
Molecular Weight320.36 g/mol
Exact Mass320.12
IUPAC Name[(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate
SMILESCC(=O)OC(/C(F)=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H17FO2/c1-15(23)24-21(17-9-3-2-4-10-17)20(22)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-14,21H,1H3/b20-14-
InChIKeyXPNAFJPLDFKNCY-ZHZULCJRSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate?
The IUPAC name of [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate (CID 100927903) is [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate?
The canonical SMILES for [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate is CC(=O)OC(/C(F)=C/c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate?
The InChIKey is XPNAFJPLDFKNCY-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H17FO2/c1-15(23)24-21(17-9-3-2-4-10-17)20(22)14-18-12-7-11-16-8-5-6-13-19(16)18/h2-14,21H,1H3/b20-14-.
What are the key properties of [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate?
[(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate has a molecular weight of 320.36 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-3-naphthalen-1-yl-1-phenylprop-2-enyl] acetate is sourced from PubChem (CID 100927903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).