3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene

C12H15F — CID 167326908

IUPAC3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC1(C)c2ccc(F)cc2C1(C)C
InChIInChI=1S/C12H15F/c1-11(2)9-6-5-8(13)7-10(9)12(11,3)4/h5-7H,1-4H3
InChIKeyYVIOBIQFKPFPRJ-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.39
Rot. Bonds

About 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene

3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 167326908) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID167326908
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC1(C)c2ccc(F)cc2C1(C)C
InChIInChI=1S/C12H15F/c1-11(2)9-6-5-8(13)7-10(9)12(11,3)4/h5-7H,1-4H3
InChIKeyYVIOBIQFKPFPRJ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 167326908) is 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene is CC1(C)c2ccc(F)cc2C1(C)C.
What is the InChIKey of 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is YVIOBIQFKPFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-11(2)9-6-5-8(13)7-10(9)12(11,3)4/h5-7H,1-4H3.
What are the key properties of 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene?
3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 178.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 167326908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).