5,6-difluorobenzo[8]annulene

C12H8F2 — CID 90938062

IUPAC5,6-difluorobenzo[8]annulene
SMILESFC1=CC=CC=c2ccccc2=C1F
InChIInChI=1S/C12H8F2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1-8H
InChIKeyNWXLFGBCCBTVDI-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.97
Rot. Bonds

About 5,6-difluorobenzo[8]annulene

5,6-difluorobenzo[8]annulene (PubChem CID 90938062) has the molecular formula C12H8F2 and a molecular weight of 190.19 g/mol. Its IUPAC name is 5,6-difluorobenzo[8]annulene.

Molecular Properties

Compound Name5,6-difluorobenzo[8]annulene
PubChem CID90938062
Molecular FormulaC12H8F2
Molecular Weight190.19 g/mol
Exact Mass190.06
IUPAC Name5,6-difluorobenzo[8]annulene
SMILESFC1=CC=CC=c2ccccc2=C1F
InChIInChI=1S/C12H8F2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1-8H
InChIKeyNWXLFGBCCBTVDI-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluorobenzo[8]annulene?
The IUPAC name of 5,6-difluorobenzo[8]annulene (CID 90938062) is 5,6-difluorobenzo[8]annulene.
What is the SMILES notation for 5,6-difluorobenzo[8]annulene?
The canonical SMILES for 5,6-difluorobenzo[8]annulene is FC1=CC=CC=c2ccccc2=C1F.
What is the InChIKey of 5,6-difluorobenzo[8]annulene?
The InChIKey is NWXLFGBCCBTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2/c13-11-8-4-2-6-9-5-1-3-7-10(9)12(11)14/h1-8H.
What are the key properties of 5,6-difluorobenzo[8]annulene?
5,6-difluorobenzo[8]annulene has a molecular weight of 190.19 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluorobenzo[8]annulene is sourced from PubChem (CID 90938062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).