ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene

C13H19F — CID 176968104

IUPACethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene
SMILESC=Cc1ccc(F)c(C)c1CC.CC
InChIInChI=1S/C11H13F.C2H6/c1-4-9-6-7-11(12)8(3)10(9)5-2;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3
InChIKeyXWGIXKVURGLWKD-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.37
Rot. Bonds2

About ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene

ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene (PubChem CID 176968104) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene.

Molecular Properties

Compound Nameethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene
PubChem CID176968104
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Nameethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene
SMILESC=Cc1ccc(F)c(C)c1CC.CC
InChIInChI=1S/C11H13F.C2H6/c1-4-9-6-7-11(12)8(3)10(9)5-2;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3
InChIKeyXWGIXKVURGLWKD-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene?
The IUPAC name of ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene (CID 176968104) is ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene.
What is the SMILES notation for ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene?
The canonical SMILES for ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene is C=Cc1ccc(F)c(C)c1CC.CC.
What is the InChIKey of ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene?
The InChIKey is XWGIXKVURGLWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F.C2H6/c1-4-9-6-7-11(12)8(3)10(9)5-2;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3.
What are the key properties of ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene?
ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene has a molecular weight of 194.29 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene is sourced from PubChem (CID 176968104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).