2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one

C5F6O — CID 87774354

IUPAC2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one
SMILESO=C1C(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C5F6O/c6-1-2(7)5(10,11)3(12)4(1,8)9
InChIKeyRROOIPFLULYYQK-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.99
Rot. Bonds

About 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one

2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one (PubChem CID 87774354) has the molecular formula C5F6O and a molecular weight of 190.04 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one.

Molecular Properties

Compound Name2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one
PubChem CID87774354
Molecular FormulaC5F6O
Molecular Weight190.04 g/mol
Exact Mass189.99
IUPAC Name2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one
SMILESO=C1C(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C5F6O/c6-1-2(7)5(10,11)3(12)4(1,8)9
InChIKeyRROOIPFLULYYQK-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one?
The IUPAC name of 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one (CID 87774354) is 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one.
What is the SMILES notation for 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one?
The canonical SMILES for 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one is O=C1C(F)(F)C(F)=C(F)C1(F)F.
What is the InChIKey of 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one?
The InChIKey is RROOIPFLULYYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F6O/c6-1-2(7)5(10,11)3(12)4(1,8)9.
What are the key properties of 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one?
2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one has a molecular weight of 190.04 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5-hexafluorocyclopent-3-en-1-one is sourced from PubChem (CID 87774354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).