(Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one

C9H7F3O2 — CID 102459818

IUPAC(Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one
SMILESO=C(/C=C(\O)C(F)(F)F)C1C=CC=C1
InChIInChI=1S/C9H7F3O2/c10-9(11,12)8(14)5-7(13)6-3-1-2-4-6/h1-6,14H/b8-5-
InChIKeyGSJLBZMZDMEZNQ-YVMONPNESA-N
MW204.15 g/mol
LogP2.30
Rot. Bonds2

About (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one

(Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one (PubChem CID 102459818) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one
PubChem CID102459818
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name(Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one
SMILESO=C(/C=C(\O)C(F)(F)F)C1C=CC=C1
InChIInChI=1S/C9H7F3O2/c10-9(11,12)8(14)5-7(13)6-3-1-2-4-6/h1-6,14H/b8-5-
InChIKeyGSJLBZMZDMEZNQ-YVMONPNESA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
The IUPAC name of (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one (CID 102459818) is (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one.
What is the SMILES notation for (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
The canonical SMILES for (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one is O=C(/C=C(\O)C(F)(F)F)C1C=CC=C1.
What is the InChIKey of (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
The InChIKey is GSJLBZMZDMEZNQ-YVMONPNESA-N. The full InChI is InChI=1S/C9H7F3O2/c10-9(11,12)8(14)5-7(13)6-3-1-2-4-6/h1-6,14H/b8-5-.
What are the key properties of (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
(Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one has a molecular weight of 204.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopenta-2,4-dien-1-yl-4,4,4-trifluoro-3-hydroxybut-2-en-1-one is sourced from PubChem (CID 102459818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).