1-chloro-3,3,4,4,5,5-hexafluorocyclopentene

C5HClF6 — CID 630286

IUPAC1-chloro-3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC1(F)C=C(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5HClF6/c6-2-1-3(7,8)5(11,12)4(2,9)10/h1H
InChIKeyVJKCESNYEZQMBC-UHFFFAOYSA-N
MW210.50 g/mol
LogP3.03
Rot. Bonds

About 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene

1-chloro-3,3,4,4,5,5-hexafluorocyclopentene (PubChem CID 630286) has the molecular formula C5HClF6 and a molecular weight of 210.50 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene.

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluorocyclopentene
PubChem CID630286
Molecular FormulaC5HClF6
Molecular Weight210.50 g/mol
Exact Mass209.97
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC1(F)C=C(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5HClF6/c6-2-1-3(7,8)5(11,12)4(2,9)10/h1H
InChIKeyVJKCESNYEZQMBC-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene 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-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene (CID 630286) is 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene.
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene is FC1(F)C=C(Cl)C(F)(F)C1(F)F.
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
The InChIKey is VJKCESNYEZQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF6/c6-2-1-3(7,8)5(11,12)4(2,9)10/h1H.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
1-chloro-3,3,4,4,5,5-hexafluorocyclopentene has a molecular weight of 210.50 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene is sourced from PubChem (CID 630286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).