5,5,6,6-tetrafluorocyclohexa-1,3-diene

C6H4F4 — CID 12676459

IUPAC5,5,6,6-tetrafluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1(F)F
InChIInChI=1S/C6H4F4/c7-5(8)3-1-2-4-6(5,9)10/h1-4H
InChIKeyQJVDWVHKUPPHNY-UHFFFAOYSA-N
MW152.09 g/mol
LogP2.38
Rot. Bonds

About 5,5,6,6-tetrafluorocyclohexa-1,3-diene

5,5,6,6-tetrafluorocyclohexa-1,3-diene (PubChem CID 12676459) has the molecular formula C6H4F4 and a molecular weight of 152.09 g/mol. Its IUPAC name is 5,5,6,6-tetrafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluorocyclohexa-1,3-diene
PubChem CID12676459
Molecular FormulaC6H4F4
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name5,5,6,6-tetrafluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1(F)F
InChIInChI=1S/C6H4F4/c7-5(8)3-1-2-4-6(5,9)10/h1-4H
InChIKeyQJVDWVHKUPPHNY-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluorocyclohexa-1,3-diene (CID 12676459) is 5,5,6,6-tetrafluorocyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluorocyclohexa-1,3-diene is FC1(F)C=CC=CC1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The InChIKey is QJVDWVHKUPPHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4/c7-5(8)3-1-2-4-6(5,9)10/h1-4H.
What are the key properties of 5,5,6,6-tetrafluorocyclohexa-1,3-diene?
5,5,6,6-tetrafluorocyclohexa-1,3-diene has a molecular weight of 152.09 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluorocyclohexa-1,3-diene is sourced from PubChem (CID 12676459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).