7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene

C8H6F2 — CID 168862881

IUPAC7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
SMILESFC1(F)Cc2ccccc21
InChIInChI=1S/C8H6F2/c9-8(10)5-6-3-1-2-4-7(6)8/h1-4H,5H2
InChIKeyBOOSMCQBTGLJIH-UHFFFAOYSA-N
MW140.13 g/mol
LogP2.33
Rot. Bonds

About 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene

7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 168862881) has the molecular formula C8H6F2 and a molecular weight of 140.13 g/mol. Its IUPAC name is 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
PubChem CID168862881
Molecular FormulaC8H6F2
Molecular Weight140.13 g/mol
Exact Mass140.04
IUPAC Name7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
SMILESFC1(F)Cc2ccccc21
InChIInChI=1S/C8H6F2/c9-8(10)5-6-3-1-2-4-7(6)8/h1-4H,5H2
InChIKeyBOOSMCQBTGLJIH-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene (CID 168862881) is 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene is FC1(F)Cc2ccccc21.
What is the InChIKey of 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is BOOSMCQBTGLJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2/c9-8(10)5-6-3-1-2-4-7(6)8/h1-4H,5H2.
What are the key properties of 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene?
7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 140.13 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 168862881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).