1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene

C6H2F6 — CID 102247779

IUPAC1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)(F)C=C(F)C1(F)F
InChIInChI=1S/C6H2F6/c7-3-1-5(9,10)2-4(8)6(3,11)12/h1-2H
InChIKeyOEIIWRMJUZGUIY-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.98
Rot. Bonds

About 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene

1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene (PubChem CID 102247779) has the molecular formula C6H2F6 and a molecular weight of 188.07 g/mol. Its IUPAC name is 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene
PubChem CID102247779
Molecular FormulaC6H2F6
Molecular Weight188.07 g/mol
Exact Mass188.01
IUPAC Name1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)(F)C=C(F)C1(F)F
InChIInChI=1S/C6H2F6/c7-3-1-5(9,10)2-4(8)6(3,11)12/h1-2H
InChIKeyOEIIWRMJUZGUIY-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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Related Compounds

1,3,3-trifluorocyclohexa-1,4-diene
CID 23511548
2,2,3,6,6,7-hexafluoronaphthalene
CID 162536554
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
2,2,3,5,5-pentafluorothiophene
CID 12916666
(4R)-1,3,3,4,5,5-hexafluorocyclopentene
CID 23235244
1,2,3,3,4,6,6-heptafluoro-5-iodocyclohexa-1,4-diene
CID 13416579
1,1,2,4,5,6,7-heptafluoroindene
CID 23234372
3-chloro-3,4,6-trifluorocyclohexa-1,4-diene-1-carboxamide
CID 19418261
1-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-fluorobenzene
CID 23370580
1,2,4,5-tetrafluorobenzene;zinc
CID 174910497
3,3-difluoro-5-methylpyrrole
CID 141489180
1,3,4,4,5,5,6,6-octafluorocyclohexene
CID 87447762

Frequently Asked Questions

What is the IUPAC name of 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene?
The IUPAC name of 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene (CID 102247779) is 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene.
What is the SMILES notation for 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene?
The canonical SMILES for 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene is FC1=CC(F)(F)C=C(F)C1(F)F.
What is the InChIKey of 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene?
The InChIKey is OEIIWRMJUZGUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F6/c7-3-1-5(9,10)2-4(8)6(3,11)12/h1-2H.
What are the key properties of 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene?
1,3,3,5,6,6-hexafluorocyclohexa-1,4-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 1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene is sourced from PubChem (CID 102247779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).