1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C19H18F8 — CID 121476186

IUPAC1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESC=CCCC1=CC=C(C2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C19H18F8/c1-3-5-7-13-9-11-15(19(26,27)17(13,22)23)14-10-8-12(6-4-2)16(20,21)18(14,24)25/h3,8-11H,1,4-7H2,2H3
InChIKeyPRDVFCIXDIXPSN-UHFFFAOYSA-N
MW398.34 g/mol
LogP7.03
Rot. Bonds6

About 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 121476186) has the molecular formula C19H18F8 and a molecular weight of 398.34 g/mol. Its IUPAC name is 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID121476186
Molecular FormulaC19H18F8
Molecular Weight398.34 g/mol
Exact Mass398.13
IUPAC Name1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESC=CCCC1=CC=C(C2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C19H18F8/c1-3-5-7-13-9-11-15(19(26,27)17(13,22)23)14-10-8-12(6-4-2)16(20,21)18(14,24)25/h3,8-11H,1,4-7H2,2H3
InChIKeyPRDVFCIXDIXPSN-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene with MolForge

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Related Compounds

3,3,4,4-Tetrafluoro-2,5-di(nonyl)bicyclo[4.2.0]octa-1,5,7-triene
CID 15522023
2-(2-Cyclohexa-1,5-dien-1-yl-1,1,2,2-tetrafluoroethyl)cyclohexa-1,3-diene
CID 17938008
(1-Fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,2,3,3-hexafluorononyl)-methylphosphane
CID 23123553
1-(1,1,2,2-Tetrafluorobutyl)cyclopenta-1,3-diene
CID 57211864
1-Hexyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177658
4,4,7,7-tetrafluoro-5,6-dihydro-1H-indene
CID 69593734
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-Fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane
CID 87882867
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 87921363
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 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 121476186) is 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is C=CCCC1=CC=C(C2=CC=C(CCC)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is PRDVFCIXDIXPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F8/c1-3-5-7-13-9-11-15(19(26,27)17(13,22)23)14-10-8-12(6-4-2)16(20,21)18(14,24)25/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 398.34 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-5,5,6,6-tetrafluoro-4-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 121476186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).