2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

C10H9F3O4 — CID 123439542

IUPAC2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F.O=C1C=CC=C1O
InChIInChI=1S/C5H5F3O2.C5H4O2/c1-3(9)2-4(10)5(6,7)8;6-4-2-1-3-5(4)7/h2,10H,1H3;1-3H,(H,6,7)/b4-2-;
InChIKeyFMSNMWZLHUWTFB-MKHFZPSSSA-N
MW250.17 g/mol
LogP2.15
Rot. Bonds1

About 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (PubChem CID 123439542) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
PubChem CID123439542
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F.O=C1C=CC=C1O
InChIInChI=1S/C5H5F3O2.C5H4O2/c1-3(9)2-4(10)5(6,7)8;6-4-2-1-3-5(4)7/h2,10H,1H3;1-3H,(H,6,7)/b4-2-;
InChIKeyFMSNMWZLHUWTFB-MKHFZPSSSA-N
XLogP2.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The IUPAC name of 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (CID 123439542) is 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.
What is the SMILES notation for 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The canonical SMILES for 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one is CC(=O)/C=C(\O)C(F)(F)F.O=C1C=CC=C1O.
What is the InChIKey of 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The InChIKey is FMSNMWZLHUWTFB-MKHFZPSSSA-N. The full InChI is InChI=1S/C5H5F3O2.C5H4O2/c1-3(9)2-4(10)5(6,7)8;6-4-2-1-3-5(4)7/h2,10H,1H3;1-3H,(H,6,7)/b4-2-;.
What are the key properties of 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one has a molecular weight of 250.17 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclopenta-2,4-dien-1-one;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 123439542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).