5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene

C20H22F8 — CID 121476194

IUPAC5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
SMILESCCCC1=CC=C(CCC2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C20H22F8/c1-3-5-13-7-9-15(19(25,26)17(13,21)22)11-12-16-10-8-14(6-4-2)18(23,24)20(16,27)28/h7-10H,3-6,11-12H2,1-2H3
InChIKeyDKKMTACZAULEJO-UHFFFAOYSA-N
MW414.38 g/mol
LogP7.64
Rot. Bonds7

About 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene (PubChem CID 121476194) has the molecular formula C20H22F8 and a molecular weight of 414.38 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
PubChem CID121476194
Molecular FormulaC20H22F8
Molecular Weight414.38 g/mol
Exact Mass414.16
IUPAC Name5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
SMILESCCCC1=CC=C(CCC2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C20H22F8/c1-3-5-13-7-9-15(19(25,26)17(13,21)22)11-12-16-10-8-14(6-4-2)18(23,24)20(16,27)28/h7-10H,3-6,11-12H2,1-2H3
InChIKeyDKKMTACZAULEJO-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene with MolForge

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Related Compounds

1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
3,3,4,4-Tetrafluoro-2,5-di(nonyl)bicyclo[4.2.0]octa-1,5,7-triene
CID 15522023
1-Methyl-2,4-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 19892255
1,2,3,5,6-Pentafluoro-4-(4,5,6-trifluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 22005445
1-Hexyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177658
2-Fluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 68384742
1-Butyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 71159948
Lithium 1,3-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)benzene-5-ide
CID 87784739
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 87921363
1-Fluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 87921379
1-Ethenyl-2-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-3-en-4-yl)cyclohexene
CID 88171086
1,7-Dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene
CID 88557727

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene (CID 121476194) is 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene is CCCC1=CC=C(CCC2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
The InChIKey is DKKMTACZAULEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F8/c1-3-5-13-7-9-15(19(25,26)17(13,21)22)11-12-16-10-8-14(6-4-2)18(23,24)20(16,27)28/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-propyl-4-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene has a molecular weight of 414.38 g/mol, XLogP of 7.64, 7 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-[2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 121476194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).