5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene

C9H8F8 — CID 71429349

IUPAC5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene
SMILESCC(C)=CC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F8/c1-5(2)3-4-6(10)7(11,12)8(13,14)9(15,16)17/h3-4H,1-2H3
InChIKeyZSBHSCZBWXUBAW-UHFFFAOYSA-N
MW268.15 g/mol
LogP4.64
Rot. Bonds3

About 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene

5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene (PubChem CID 71429349) has the molecular formula C9H8F8 and a molecular weight of 268.15 g/mol. Its IUPAC name is 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene.

Molecular Properties

Compound Name5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene
PubChem CID71429349
Molecular FormulaC9H8F8
Molecular Weight268.15 g/mol
Exact Mass268.05
IUPAC Name5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene
SMILESCC(C)=CC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F8/c1-5(2)3-4-6(10)7(11,12)8(13,14)9(15,16)17/h3-4H,1-2H3
InChIKeyZSBHSCZBWXUBAW-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
3-Methyl-1,1-bis(trifluoromethyl)butadiene
CID 85822569
4-Methyl-2-trifluoromethylpentadiene
CID 90166011
1,1,1-Trifluoro-2-(trifluoromethyl)hex-2-ene
CID 640488
1,1,1-Trifluoro-2-(trifluoromethyl)hept-2-ene
CID 13027673
2-Methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641387
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100
5,5,6,6,7,7,7-Heptafluoro-2-methyl-2-heptene
CID 24973628
5,5,6,6,6-Pentafluoro-2-methylhex-2-ene
CID 86128587
5,6,6,6-Tetrafluoro-2-methyl-5-(trifluoromethyl)hex-2-ene
CID 86128591
(2E,5Z)-3-(trifluoromethyl)hepta-2,5-diene
CID 134862047

Frequently Asked Questions

What is the IUPAC name of 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene?
The IUPAC name of 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene (CID 71429349) is 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene.
What is the SMILES notation for 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene?
The canonical SMILES for 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene is CC(C)=CC=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene?
The InChIKey is ZSBHSCZBWXUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F8/c1-5(2)3-4-6(10)7(11,12)8(13,14)9(15,16)17/h3-4H,1-2H3.
What are the key properties of 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene?
5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene has a molecular weight of 268.15 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene is sourced from PubChem (CID 71429349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).