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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Related Compounds

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CID 175052799
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CID 157467741
CID 157467741
7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one
CID 89405313
3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
CID 130030729
5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione
CID 163124391
3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 13297859
ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one
CID 164528784
3,3,4,4,5,5,6,6-octafluorocyclohexen-1-ol
CID 23262860
3-hydroxy-4,4-diphenylcyclohex-2-en-1-one
CID 11780380
4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 89405315
3-hydroxy-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 130031634

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).