5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene

C8H9ClF4 — CID 141455515

IUPAC5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene
SMILESCC1(F)C=CC(F)C(F)(Cl)C1(C)F
InChIInChI=1S/C8H9ClF4/c1-6(11)4-3-5(10)8(9,13)7(6,2)12/h3-5H,1-2H3
InChIKeyYIDLDQULRRJILB-UHFFFAOYSA-N
MW216.61 g/mol
LogP3.26
Rot. Bonds

About 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene

5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene (PubChem CID 141455515) has the molecular formula C8H9ClF4 and a molecular weight of 216.61 g/mol. Its IUPAC name is 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene.

Molecular Properties

Compound Name5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene
PubChem CID141455515
Molecular FormulaC8H9ClF4
Molecular Weight216.61 g/mol
Exact Mass216.03
IUPAC Name5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene
SMILESCC1(F)C=CC(F)C(F)(Cl)C1(C)F
InChIInChI=1S/C8H9ClF4/c1-6(11)4-3-5(10)8(9,13)7(6,2)12/h3-5H,1-2H3
InChIKeyYIDLDQULRRJILB-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.61
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene?
The IUPAC name of 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene (CID 141455515) is 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene.
What is the SMILES notation for 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene?
The canonical SMILES for 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene is CC1(F)C=CC(F)C(F)(Cl)C1(C)F.
What is the InChIKey of 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene?
The InChIKey is YIDLDQULRRJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF4/c1-6(11)4-3-5(10)8(9,13)7(6,2)12/h3-5H,1-2H3.
What are the key properties of 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene?
5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene has a molecular weight of 216.61 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4,5,6-tetrafluoro-3,4-dimethylcyclohexene is sourced from PubChem (CID 141455515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).