ethane;1-ethenyl-4-fluorobenzene

C12H19F — CID 143529924

IUPACethane;1-ethenyl-4-fluorobenzene
SMILESC=Cc1ccc(F)cc1.CC.CC
InChIInChI=1S/C8H7F.2C2H6/c1-2-7-3-5-8(9)6-4-7;2*1-2/h2-6H,1H2;2*1-2H3
InChIKeyXEBVEFQKOVBYEC-UHFFFAOYSA-N
MW182.28 g/mol
LogP4.52
Rot. Bonds1

About ethane;1-ethenyl-4-fluorobenzene

ethane;1-ethenyl-4-fluorobenzene (PubChem CID 143529924) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is ethane;1-ethenyl-4-fluorobenzene.

Molecular Properties

Compound Nameethane;1-ethenyl-4-fluorobenzene
PubChem CID143529924
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Nameethane;1-ethenyl-4-fluorobenzene
SMILESC=Cc1ccc(F)cc1.CC.CC
InChIInChI=1S/C8H7F.2C2H6/c1-2-7-3-5-8(9)6-4-7;2*1-2/h2-6H,1H2;2*1-2H3
InChIKeyXEBVEFQKOVBYEC-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-4-fluorobenzene;toluene
CID 170790144
1-bromo-4-ethenylbenzene;ethane
CID 144688744
benzene;ethane;styrene
CID 21219610
ethane;ethene;4-ethenylphenol
CID 178000559
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
1-(4-ethenylphenyl)-2,3,4,5,6-pentafluorobenzene
CID 102498267
1-ethenyl-4-fluorobenzene;1-fluoro-4-[2-(sulfinylmethylsulfinyl)ethenyl]benzene
CID 173037264
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
1-tert-butyl-4-ethenylbenzene
CID 15627

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-4-fluorobenzene?
The IUPAC name of ethane;1-ethenyl-4-fluorobenzene (CID 143529924) is ethane;1-ethenyl-4-fluorobenzene.
What is the SMILES notation for ethane;1-ethenyl-4-fluorobenzene?
The canonical SMILES for ethane;1-ethenyl-4-fluorobenzene is C=Cc1ccc(F)cc1.CC.CC.
What is the InChIKey of ethane;1-ethenyl-4-fluorobenzene?
The InChIKey is XEBVEFQKOVBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F.2C2H6/c1-2-7-3-5-8(9)6-4-7;2*1-2/h2-6H,1H2;2*1-2H3.
What are the key properties of ethane;1-ethenyl-4-fluorobenzene?
ethane;1-ethenyl-4-fluorobenzene has a molecular weight of 182.28 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-4-fluorobenzene is sourced from PubChem (CID 143529924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).