1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene

C6H2F6 — CID 54565847

IUPAC1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene
SMILESFC1=CC(F)C(F)(F)C(F)=C1F
InChIInChI=1S/C6H2F6/c7-2-1-3(8)6(11,12)5(10)4(2)9/h1,3H
InChIKeyHVYJCMCDTCDWCE-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.98
Rot. Bonds

About 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene

1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene (PubChem CID 54565847) has the molecular formula C6H2F6 and a molecular weight of 188.07 g/mol. Its IUPAC name is 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene
PubChem CID54565847
Molecular FormulaC6H2F6
Molecular Weight188.07 g/mol
Exact Mass188.01
IUPAC Name1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene
SMILESFC1=CC(F)C(F)(F)C(F)=C1F
InChIInChI=1S/C6H2F6/c7-2-1-3(8)6(11,12)5(10)4(2)9/h1,3H
InChIKeyHVYJCMCDTCDWCE-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene?
The IUPAC name of 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene (CID 54565847) is 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene is FC1=CC(F)C(F)(F)C(F)=C1F.
What is the InChIKey of 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene?
The InChIKey is HVYJCMCDTCDWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6/c7-2-1-3(8)6(11,12)5(10)4(2)9/h1,3H.
What are the key properties of 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene?
1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene has a molecular weight of 188.07 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,6-hexafluorocyclohexa-1,3-diene is sourced from PubChem (CID 54565847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).