5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C15H12F8 — CID 121476185

IUPAC5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=CC(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H12F8/c1-2-4-9-6-7-11(15(22,23)13(9,18)19)10-5-3-8-12(16,17)14(10,20)21/h3,5-8H,2,4H2,1H3
InChIKeyDGOLINUZPDRFDY-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.69
Rot. Bonds3

About 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 121476185) has the molecular formula C15H12F8 and a molecular weight of 344.25 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID121476185
Molecular FormulaC15H12F8
Molecular Weight344.25 g/mol
Exact Mass344.08
IUPAC Name5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=CC(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H12F8/c1-2-4-9-6-7-11(15(22,23)13(9,18)19)10-5-3-8-12(16,17)14(10,20)21/h3,5-8H,2,4H2,1H3
InChIKeyDGOLINUZPDRFDY-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.69
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

5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
1,4-Bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 134898001
2,3-Bis(3,3,3-trifluoropropyl)cyclopentadiene
CID 139104303
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexene
CID 10847151
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 15769647
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclopenta-1,3-diene
CID 17936271
2-(2-Cyclohexa-1,5-dien-1-yl-1,1,2,2-tetrafluoroethyl)cyclohexa-1,3-diene
CID 17938008
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)cyclopenta-1,3-diene
CID 18619132
1-Methyl-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 19892255

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 121476185) is 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is CCCC1=CC=C(C2=CC=CC(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is DGOLINUZPDRFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F8/c1-2-4-9-6-7-11(15(22,23)13(9,18)19)10-5-3-8-12(16,17)14(10,20)21/h3,5-8H,2,4H2,1H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 344.25 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-1-propyl-4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 121476185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).