3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene

C6H3Cl2F5 — CID 151446486

IUPAC3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene
SMILESFC1C=CC(F)(Cl)C(F)(Cl)C1(F)F
InChIInChI=1S/C6H3Cl2F5/c7-4(10)2-1-3(9)5(11,12)6(4,8)13/h1-3H
InChIKeyPFPLNFZJABKAHL-UHFFFAOYSA-N
MW240.99 g/mol
LogP3.34
Rot. Bonds

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

3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene (PubChem CID 151446486) has the molecular formula C6H3Cl2F5 and a molecular weight of 240.99 g/mol. Its IUPAC name is 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene.

Molecular Properties

Compound Name3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene
PubChem CID151446486
Molecular FormulaC6H3Cl2F5
Molecular Weight240.99 g/mol
Exact Mass239.95
IUPAC Name3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene
SMILESFC1C=CC(F)(Cl)C(F)(Cl)C1(F)F
InChIInChI=1S/C6H3Cl2F5/c7-4(10)2-1-3(9)5(11,12)6(4,8)13/h1-3H
InChIKeyPFPLNFZJABKAHL-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.99
LogP ≤ 53.34
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 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene?
The IUPAC name of 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene (CID 151446486) is 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene.
What is the SMILES notation for 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene?
The canonical SMILES for 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene is FC1C=CC(F)(Cl)C(F)(Cl)C1(F)F.
What is the InChIKey of 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene?
The InChIKey is PFPLNFZJABKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F5/c7-4(10)2-1-3(9)5(11,12)6(4,8)13/h1-3H.
What are the key properties of 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene?
3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene has a molecular weight of 240.99 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-3,4,5,5,6-pentafluorocyclohexene is sourced from PubChem (CID 151446486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).