4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one

C5H2F4O2 — CID 142508450

IUPAC4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one
SMILESO=C1C=C(O)C(F)(F)C1(F)F
InChIInChI=1S/C5H2F4O2/c6-4(7)2(10)1-3(11)5(4,8)9/h1,10H
InChIKeyUKRMZGWDFIXVOW-UHFFFAOYSA-N
MW170.06 g/mol
LogP1.28
Rot. Bonds

About 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one

4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one (PubChem CID 142508450) has the molecular formula C5H2F4O2 and a molecular weight of 170.06 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one
PubChem CID142508450
Molecular FormulaC5H2F4O2
Molecular Weight170.06 g/mol
Exact Mass170.00
IUPAC Name4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one
SMILESO=C1C=C(O)C(F)(F)C1(F)F
InChIInChI=1S/C5H2F4O2/c6-4(7)2(10)1-3(11)5(4,8)9/h1,10H
InChIKeyUKRMZGWDFIXVOW-UHFFFAOYSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one (CID 142508450) is 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one is O=C1C=C(O)C(F)(F)C1(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one?
The InChIKey is UKRMZGWDFIXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F4O2/c6-4(7)2(10)1-3(11)5(4,8)9/h1,10H.
What are the key properties of 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one?
4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one has a molecular weight of 170.06 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 142508450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).