1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene

C13H16F4 — CID 19364579

IUPAC1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene
SMILESC=CC1=CC=C(C(C)(C)CC)C(F)(F)C1(F)F
InChIInChI=1S/C13H16F4/c1-5-9-7-8-10(11(3,4)6-2)13(16,17)12(9,14)15/h5,7-8H,1,6H2,2-4H3
InChIKeyILCNRNGWZZWUEZ-UHFFFAOYSA-N
MW248.26 g/mol
LogP4.75
Rot. Bonds3

About 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene

1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene (PubChem CID 19364579) has the molecular formula C13H16F4 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene
PubChem CID19364579
Molecular FormulaC13H16F4
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene
SMILESC=CC1=CC=C(C(C)(C)CC)C(F)(F)C1(F)F
InChIInChI=1S/C13H16F4/c1-5-9-7-8-10(11(3,4)6-2)13(16,17)12(9,14)15/h5,7-8H,1,6H2,2-4H3
InChIKeyILCNRNGWZZWUEZ-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene (CID 19364579) is 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene is C=CC1=CC=C(C(C)(C)CC)C(F)(F)C1(F)F.
What is the InChIKey of 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
The InChIKey is ILCNRNGWZZWUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4/c1-5-9-7-8-10(11(3,4)6-2)13(16,17)12(9,14)15/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene?
1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene has a molecular weight of 248.26 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 19364579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).