1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene

C19H28F4O — CID 121476164

IUPAC1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCCCC1CCC(C2=CC=C(OCC)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C19H28F4O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(24-4-2)19(22,23)18(16,20)21/h12-15H,3-11H2,1-2H3
InChIKeyIVXOKWQBZPZBKY-UHFFFAOYSA-N
MW348.42 g/mol
LogP6.50
Rot. Bonds7

About 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene

1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 121476164) has the molecular formula C19H28F4O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene
PubChem CID121476164
Molecular FormulaC19H28F4O
Molecular Weight348.42 g/mol
Exact Mass348.21
IUPAC Name1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCCCC1CCC(C2=CC=C(OCC)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C19H28F4O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(24-4-2)19(22,23)18(16,20)21/h12-15H,3-11H2,1-2H3
InChIKeyIVXOKWQBZPZBKY-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)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-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene (CID 121476164) is 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene is CCCCCC1CCC(C2=CC=C(OCC)C(F)(F)C2(F)F)CC1.
What is the InChIKey of 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is IVXOKWQBZPZBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F4O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(24-4-2)19(22,23)18(16,20)21/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene?
1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 348.42 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 121476164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).