1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane

C11H16F4 — CID 57277771

IUPAC1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane
SMILESC=CCCCC1CC(F)C(F)(F)C(F)C1
InChIInChI=1S/C11H16F4/c1-2-3-4-5-8-6-9(12)11(14,15)10(13)7-8/h2,8-10H,1,3-7H2
InChIKeyVPJANHAJXZYYDC-UHFFFAOYSA-N
MW224.24 g/mol
LogP4.06
Rot. Bonds4

About 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane

1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane (PubChem CID 57277771) has the molecular formula C11H16F4 and a molecular weight of 224.24 g/mol. Its IUPAC name is 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane.

Molecular Properties

Compound Name1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane
PubChem CID57277771
Molecular FormulaC11H16F4
Molecular Weight224.24 g/mol
Exact Mass224.12
IUPAC Name1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane
SMILESC=CCCCC1CC(F)C(F)(F)C(F)C1
InChIInChI=1S/C11H16F4/c1-2-3-4-5-8-6-9(12)11(14,15)10(13)7-8/h2,8-10H,1,3-7H2
InChIKeyVPJANHAJXZYYDC-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane 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 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane?
The IUPAC name of 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane (CID 57277771) is 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane.
What is the SMILES notation for 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane?
The canonical SMILES for 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane is C=CCCCC1CC(F)C(F)(F)C(F)C1.
What is the InChIKey of 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane?
The InChIKey is VPJANHAJXZYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4/c1-2-3-4-5-8-6-9(12)11(14,15)10(13)7-8/h2,8-10H,1,3-7H2.
What are the key properties of 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane?
1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane has a molecular weight of 224.24 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,6-tetrafluoro-4-pent-4-enylcyclohexane is sourced from PubChem (CID 57277771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).