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

C24H22F8 — CID 121476289

IUPAC5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=C(c3ccc(CCC)cc3)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C24H22F8/c1-3-5-15-7-9-16(10-8-15)18-13-14-20(24(31,32)22(18,27)28)19-12-11-17(6-4-2)21(25,26)23(19,29)30/h7-14H,3-6H2,1-2H3
InChIKeyKFOHVDTXDQZEPS-UHFFFAOYSA-N
MW462.42 g/mol
LogP8.17
Rot. Bonds6

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

5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 121476289) has the molecular formula C24H22F8 and a molecular weight of 462.42 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
PubChem CID121476289
Molecular FormulaC24H22F8
Molecular Weight462.42 g/mol
Exact Mass462.16
IUPAC Name5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESCCCC1=CC=C(C2=CC=C(c3ccc(CCC)cc3)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C24H22F8/c1-3-5-15-7-9-16(10-8-15)18-13-14-20(24(31,32)22(18,27)28)19-12-11-17(6-4-2)21(25,26)23(19,29)30/h7-14H,3-6H2,1-2H3
InChIKeyKFOHVDTXDQZEPS-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.42
LogP ≤ 58.17
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-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene with MolForge

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Related Compounds

5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine
CID 121476271
1-(2,3-difluoro-4-propylphenyl)-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 121476293
[1-fluoro-2-(4-propylphenyl)cyclohexa-2,4-dien-1-yl]boronic acid
CID 154506321
[4-(4-propylphenyl)phenyl]boronic acid;5,5,6,6-tetrafluoro-1-[4-(4-propylphenyl)phenyl]cyclohexa-1,3-diene
CID 160834233
2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-1-fluoro-6-propylnaphthalene
CID 121476182
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-fluoro-4-propylbenzene
CID 2737505
5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
CID 121476332
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-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-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (CID 121476289) is 5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-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-tetrafluoro-4-(4-propylphenyl)cyclohexa-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-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is CCCC1=CC=C(C2=CC=C(c3ccc(CCC)cc3)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-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The InChIKey is KFOHVDTXDQZEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F8/c1-3-5-15-7-9-16(10-8-15)18-13-14-20(24(31,32)22(18,27)28)19-12-11-17(6-4-2)21(25,26)23(19,29)30/h7-14H,3-6H2,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 462.42 g/mol, XLogP of 8.17, 6 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-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 121476289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).