1,3,4,4,5,5,6,6-octafluorocyclohexene

C6H2F8 — CID 87447762

IUPAC1,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC1=CC(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8/c7-2-1-3(8)5(11,12)6(13,14)4(2,9)10/h1-2H
InChIKeyLNMIJHVWMLQVNI-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.10
Rot. Bonds

About 1,3,4,4,5,5,6,6-octafluorocyclohexene

1,3,4,4,5,5,6,6-octafluorocyclohexene (PubChem CID 87447762) has the molecular formula C6H2F8 and a molecular weight of 226.07 g/mol. Its IUPAC name is 1,3,4,4,5,5,6,6-octafluorocyclohexene.

Molecular Properties

Compound Name1,3,4,4,5,5,6,6-octafluorocyclohexene
PubChem CID87447762
Molecular FormulaC6H2F8
Molecular Weight226.07 g/mol
Exact Mass226.00
IUPAC Name1,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC1=CC(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F8/c7-2-1-3(8)5(11,12)6(13,14)4(2,9)10/h1-2H
InChIKeyLNMIJHVWMLQVNI-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1,3,3,4,5,5-hexafluorocyclopentene
CID 23235244
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
CID 91449587
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
2-chloro-1,3,3,4,4,5,5,6-octafluorocyclohexene;1,2,3-trichloro-5-methylbenzene
CID 158398553
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
CID 89420440
5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene
CID 175385234
6-bromo-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene
CID 73011360
1,4,5,6-tetrafluoro-5-methoxycyclohexa-1,3-diene
CID 141400646
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,5,5,6,6-octafluorocyclohexene?
The IUPAC name of 1,3,4,4,5,5,6,6-octafluorocyclohexene (CID 87447762) is 1,3,4,4,5,5,6,6-octafluorocyclohexene.
What is the SMILES notation for 1,3,4,4,5,5,6,6-octafluorocyclohexene?
The canonical SMILES for 1,3,4,4,5,5,6,6-octafluorocyclohexene is FC1=CC(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,4,4,5,5,6,6-octafluorocyclohexene?
The InChIKey is LNMIJHVWMLQVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8/c7-2-1-3(8)5(11,12)6(13,14)4(2,9)10/h1-2H.
What are the key properties of 1,3,4,4,5,5,6,6-octafluorocyclohexene?
1,3,4,4,5,5,6,6-octafluorocyclohexene has a molecular weight of 226.07 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,5,5,6,6-octafluorocyclohexene is sourced from PubChem (CID 87447762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).