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

C7H6F6 — CID 20668716

IUPAC1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene
SMILESCC1=C(F)C(F)(F)C(C)(F)C1(F)F
InChIInChI=1S/C7H6F6/c1-3-4(8)7(12,13)5(2,9)6(3,10)11/h1-2H3
InChIKeySVDXROFTQDMGEE-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.24
Rot. Bonds

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

1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene (PubChem CID 20668716) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene.

Molecular Properties

Compound Name1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene
PubChem CID20668716
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene
SMILESCC1=C(F)C(F)(F)C(C)(F)C1(F)F
InChIInChI=1S/C7H6F6/c1-3-4(8)7(12,13)5(2,9)6(3,10)11/h1-2H3
InChIKeySVDXROFTQDMGEE-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene?
The IUPAC name of 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene (CID 20668716) is 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene.
What is the SMILES notation for 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene?
The canonical SMILES for 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene is CC1=C(F)C(F)(F)C(C)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene?
The InChIKey is SVDXROFTQDMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-3-4(8)7(12,13)5(2,9)6(3,10)11/h1-2H3.
What are the key properties of 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene?
1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene has a molecular weight of 204.11 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,5,5-hexafluoro-2,4-dimethylcyclopentene is sourced from PubChem (CID 20668716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).