1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene

C6H3ClF6 — CID 14224329

IUPAC1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene
SMILESCC1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3ClF6/c1-2-3(7)5(10,11)6(12,13)4(2,8)9/h1H3
InChIKeyHWHKCMWGBDHXLB-UHFFFAOYSA-N
MW224.53 g/mol
LogP3.42
Rot. Bonds

About 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene

1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene (PubChem CID 14224329) has the molecular formula C6H3ClF6 and a molecular weight of 224.53 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene.

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene
PubChem CID14224329
Molecular FormulaC6H3ClF6
Molecular Weight224.53 g/mol
Exact Mass223.98
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene
SMILESCC1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3ClF6/c1-2-3(7)5(10,11)6(12,13)4(2,8)9/h1H3
InChIKeyHWHKCMWGBDHXLB-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene (CID 14224329) is 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene.
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene is CC1=C(Cl)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene?
The InChIKey is HWHKCMWGBDHXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF6/c1-2-3(7)5(10,11)6(12,13)4(2,8)9/h1H3.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene?
1-chloro-3,3,4,4,5,5-hexafluoro-2-methylcyclopentene has a molecular weight of 224.53 g/mol, XLogP of 3.42, 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-hexafluoro-2-methylcyclopentene is sourced from PubChem (CID 14224329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).