1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene

C8H6F6O2 — CID 71437016

IUPAC1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)(F)C(F)(F)C(F)=C1OC
InChIInChI=1S/C8H6F6O2/c1-15-3-4(16-2)6(10)8(13,14)7(11,12)5(3)9/h1-2H3
InChIKeyBNOYWBXCTVUNPK-UHFFFAOYSA-N
MW248.12 g/mol
LogP2.93
Rot. Bonds2

About 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene

1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene (PubChem CID 71437016) has the molecular formula C8H6F6O2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene
PubChem CID71437016
Molecular FormulaC8H6F6O2
Molecular Weight248.12 g/mol
Exact Mass248.03
IUPAC Name1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)(F)C(F)(F)C(F)=C1OC
InChIInChI=1S/C8H6F6O2/c1-15-3-4(16-2)6(10)8(13,14)7(11,12)5(3)9/h1-2H3
InChIKeyBNOYWBXCTVUNPK-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene (CID 71437016) is 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene is COC1=C(F)C(F)(F)C(F)(F)C(F)=C1OC.
What is the InChIKey of 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene?
The InChIKey is BNOYWBXCTVUNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O2/c1-15-3-4(16-2)6(10)8(13,14)7(11,12)5(3)9/h1-2H3.
What are the key properties of 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene?
1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene has a molecular weight of 248.12 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,6,6-hexafluoro-2,3-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 71437016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).