3,6-dichloro-4,4,5,5-tetrafluorocyclohexene

C6H4Cl2F4 — CID 604424

IUPAC3,6-dichloro-4,4,5,5-tetrafluorocyclohexene
SMILESFC1(F)C(Cl)C=CC(Cl)C1(F)F
InChIInChI=1S/C6H4Cl2F4/c7-3-1-2-4(8)6(11,12)5(3,9)10/h1-4H
InChIKeyODOFGOMMOLAKRX-UHFFFAOYSA-N
MW223.00 g/mol
LogP3.04
Rot. Bonds

About 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene

3,6-dichloro-4,4,5,5-tetrafluorocyclohexene (PubChem CID 604424) has the molecular formula C6H4Cl2F4 and a molecular weight of 223.00 g/mol. Its IUPAC name is 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene.

Molecular Properties

Compound Name3,6-dichloro-4,4,5,5-tetrafluorocyclohexene
PubChem CID604424
Molecular FormulaC6H4Cl2F4
Molecular Weight223.00 g/mol
Exact Mass221.96
IUPAC Name3,6-dichloro-4,4,5,5-tetrafluorocyclohexene
SMILESFC1(F)C(Cl)C=CC(Cl)C1(F)F
InChIInChI=1S/C6H4Cl2F4/c7-3-1-2-4(8)6(11,12)5(3,9)10/h1-4H
InChIKeyODOFGOMMOLAKRX-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.00
LogP ≤ 53.04
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene?
The IUPAC name of 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene (CID 604424) is 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene.
What is the SMILES notation for 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene?
The canonical SMILES for 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene is FC1(F)C(Cl)C=CC(Cl)C1(F)F.
What is the InChIKey of 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene?
The InChIKey is ODOFGOMMOLAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F4/c7-3-1-2-4(8)6(11,12)5(3,9)10/h1-4H.
What are the key properties of 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene?
3,6-dichloro-4,4,5,5-tetrafluorocyclohexene has a molecular weight of 223.00 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4,4,5,5-tetrafluorocyclohexene is sourced from PubChem (CID 604424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).