1-(2-ethenyl-6-fluorophenyl)propan-2-one

C11H11FO — CID 160689152

IUPAC1-(2-ethenyl-6-fluorophenyl)propan-2-one
SMILESC=Cc1cccc(F)c1CC(C)=O
InChIInChI=1S/C11H11FO/c1-3-9-5-4-6-11(12)10(9)7-8(2)13/h3-6H,1,7H2,2H3
InChIKeyRPEJDRPMFSDSGK-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-ethenyl-6-fluorophenyl)propan-2-one

1-(2-ethenyl-6-fluorophenyl)propan-2-one (PubChem CID 160689152) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-(2-ethenyl-6-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethenyl-6-fluorophenyl)propan-2-one
PubChem CID160689152
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name1-(2-ethenyl-6-fluorophenyl)propan-2-one
SMILESC=Cc1cccc(F)c1CC(C)=O
InChIInChI=1S/C11H11FO/c1-3-9-5-4-6-11(12)10(9)7-8(2)13/h3-6H,1,7H2,2H3
InChIKeyRPEJDRPMFSDSGK-UHFFFAOYSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethenyl-6-fluorophenyl)propan-2-one 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-(2-ethenyl-6-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-ethenyl-6-fluorophenyl)propan-2-one (CID 160689152) is 1-(2-ethenyl-6-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-ethenyl-6-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-ethenyl-6-fluorophenyl)propan-2-one is C=Cc1cccc(F)c1CC(C)=O.
What is the InChIKey of 1-(2-ethenyl-6-fluorophenyl)propan-2-one?
The InChIKey is RPEJDRPMFSDSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-3-9-5-4-6-11(12)10(9)7-8(2)13/h3-6H,1,7H2,2H3.
What are the key properties of 1-(2-ethenyl-6-fluorophenyl)propan-2-one?
1-(2-ethenyl-6-fluorophenyl)propan-2-one has a molecular weight of 178.21 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-6-fluorophenyl)propan-2-one is sourced from PubChem (CID 160689152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).