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

C6H4F6 — CID 87084190

IUPAC2,3,3,4,4,5-hexafluoro-1-methylcyclopentene
SMILESCC1=C(F)C(F)(F)C(F)(F)C1F
InChIInChI=1S/C6H4F6/c1-2-3(7)5(9,10)6(11,12)4(2)8/h3H,1H3
InChIKeyKMMNKGCQFWTIEM-UHFFFAOYSA-N
MW190.09 g/mol
LogP2.85
Rot. Bonds

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

2,3,3,4,4,5-hexafluoro-1-methylcyclopentene (PubChem CID 87084190) has the molecular formula C6H4F6 and a molecular weight of 190.09 g/mol. Its IUPAC name is 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene.

Molecular Properties

Compound Name2,3,3,4,4,5-hexafluoro-1-methylcyclopentene
PubChem CID87084190
Molecular FormulaC6H4F6
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Name2,3,3,4,4,5-hexafluoro-1-methylcyclopentene
SMILESCC1=C(F)C(F)(F)C(F)(F)C1F
InChIInChI=1S/C6H4F6/c1-2-3(7)5(9,10)6(11,12)4(2)8/h3H,1H3
InChIKeyKMMNKGCQFWTIEM-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 52.85
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 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene?
The IUPAC name of 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene (CID 87084190) is 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene.
What is the SMILES notation for 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene?
The canonical SMILES for 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene is CC1=C(F)C(F)(F)C(F)(F)C1F.
What is the InChIKey of 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene?
The InChIKey is KMMNKGCQFWTIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6/c1-2-3(7)5(9,10)6(11,12)4(2)8/h3H,1H3.
What are the key properties of 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene?
2,3,3,4,4,5-hexafluoro-1-methylcyclopentene has a molecular weight of 190.09 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5-hexafluoro-1-methylcyclopentene is sourced from PubChem (CID 87084190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).