4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione

C7H3F5O4 — CID 173470424

IUPAC4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione
SMILESO=C1C(=O)C(O)C(C(F)(F)C(F)(F)F)C1=O
InChIInChI=1S/C7H3F5O4/c8-6(9,7(10,11)12)1-2(13)4(15)5(16)3(1)14/h1-2,13H
InChIKeyLRWDKNFLMULTCQ-UHFFFAOYSA-N
MW246.09 g/mol
LogP-0.12
Rot. Bonds1

About 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione

4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione (PubChem CID 173470424) has the molecular formula C7H3F5O4 and a molecular weight of 246.09 g/mol. Its IUPAC name is 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione.

Molecular Properties

Compound Name4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione
PubChem CID173470424
Molecular FormulaC7H3F5O4
Molecular Weight246.09 g/mol
Exact Mass246.00
IUPAC Name4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione
SMILESO=C1C(=O)C(O)C(C(F)(F)C(F)(F)F)C1=O
InChIInChI=1S/C7H3F5O4/c8-6(9,7(10,11)12)1-2(13)4(15)5(16)3(1)14/h1-2,13H
InChIKeyLRWDKNFLMULTCQ-UHFFFAOYSA-N
XLogP-0.12
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione?
The IUPAC name of 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione (CID 173470424) is 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione.
What is the SMILES notation for 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione?
The canonical SMILES for 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione is O=C1C(=O)C(O)C(C(F)(F)C(F)(F)F)C1=O.
What is the InChIKey of 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione?
The InChIKey is LRWDKNFLMULTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5O4/c8-6(9,7(10,11)12)1-2(13)4(15)5(16)3(1)14/h1-2,13H.
What are the key properties of 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione?
4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione has a molecular weight of 246.09 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)cyclopentane-1,2,3-trione is sourced from PubChem (CID 173470424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).