4-ethenyl-2-fluoro-1-methylbenzene

C9H9F — CID 20708999

IUPAC4-ethenyl-2-fluoro-1-methylbenzene
SMILESC=Cc1ccc(C)c(F)c1
InChIInChI=1S/C9H9F/c1-3-8-5-4-7(2)9(10)6-8/h3-6H,1H2,2H3
InChIKeyPBRPHTJRKPUUDM-UHFFFAOYSA-N
MW136.17 g/mol
LogP2.78
Rot. Bonds1

About 4-ethenyl-2-fluoro-1-methylbenzene

4-ethenyl-2-fluoro-1-methylbenzene (PubChem CID 20708999) has the molecular formula C9H9F and a molecular weight of 136.17 g/mol. Its IUPAC name is 4-ethenyl-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-ethenyl-2-fluoro-1-methylbenzene
PubChem CID20708999
Molecular FormulaC9H9F
Molecular Weight136.17 g/mol
Exact Mass136.07
IUPAC Name4-ethenyl-2-fluoro-1-methylbenzene
SMILESC=Cc1ccc(C)c(F)c1
InChIInChI=1S/C9H9F/c1-3-8-5-4-7(2)9(10)6-8/h3-6H,1H2,2H3
InChIKeyPBRPHTJRKPUUDM-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-fluoro-1-methylbenzene?
The IUPAC name of 4-ethenyl-2-fluoro-1-methylbenzene (CID 20708999) is 4-ethenyl-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-ethenyl-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-ethenyl-2-fluoro-1-methylbenzene is C=Cc1ccc(C)c(F)c1.
What is the InChIKey of 4-ethenyl-2-fluoro-1-methylbenzene?
The InChIKey is PBRPHTJRKPUUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F/c1-3-8-5-4-7(2)9(10)6-8/h3-6H,1H2,2H3.
What are the key properties of 4-ethenyl-2-fluoro-1-methylbenzene?
4-ethenyl-2-fluoro-1-methylbenzene has a molecular weight of 136.17 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-fluoro-1-methylbenzene is sourced from PubChem (CID 20708999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).