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

C7H6F6O2 — CID 21438116

IUPAC3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene
SMILESCOC1=C(OC)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F6O2/c1-14-3-4(15-2)6(10,11)7(12,13)5(3,8)9/h1-2H3
InChIKeyRBXSHWOAJJZEQA-UHFFFAOYSA-N
MW236.11 g/mol
LogP2.41
Rot. Bonds2

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

3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene (PubChem CID 21438116) has the molecular formula C7H6F6O2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene
PubChem CID21438116
Molecular FormulaC7H6F6O2
Molecular Weight236.11 g/mol
Exact Mass236.03
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene
SMILESCOC1=C(OC)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F6O2/c1-14-3-4(15-2)6(10,11)7(12,13)5(3,8)9/h1-2H3
InChIKeyRBXSHWOAJJZEQA-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene (CID 21438116) is 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene is COC1=C(OC)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene?
The InChIKey is RBXSHWOAJJZEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O2/c1-14-3-4(15-2)6(10,11)7(12,13)5(3,8)9/h1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene has a molecular weight of 236.11 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1,2-dimethoxycyclopentene is sourced from PubChem (CID 21438116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).