1-fluoroethenylbenzene

C8H7F — CID 3011495

IUPAC1-fluoroethenylbenzene
SMILESC=C(F)c1ccccc1
InChIInChI=1S/C8H7F/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDAEXAGHVEUWODX-UHFFFAOYSA-N
MW122.14 g/mol
LogP2.63
Rot. Bonds1

About 1-fluoroethenylbenzene

1-fluoroethenylbenzene (PubChem CID 3011495) has the molecular formula C8H7F and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-fluoroethenylbenzene.

Molecular Properties

Compound Name1-fluoroethenylbenzene
PubChem CID3011495
Molecular FormulaC8H7F
Molecular Weight122.14 g/mol
Exact Mass122.05
IUPAC Name1-fluoroethenylbenzene
SMILESC=C(F)c1ccccc1
InChIInChI=1S/C8H7F/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDAEXAGHVEUWODX-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethenylbenzene?
The IUPAC name of 1-fluoroethenylbenzene (CID 3011495) is 1-fluoroethenylbenzene.
What is the SMILES notation for 1-fluoroethenylbenzene?
The canonical SMILES for 1-fluoroethenylbenzene is C=C(F)c1ccccc1.
What is the InChIKey of 1-fluoroethenylbenzene?
The InChIKey is DAEXAGHVEUWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of 1-fluoroethenylbenzene?
1-fluoroethenylbenzene has a molecular weight of 122.14 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethenylbenzene is sourced from PubChem (CID 3011495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).