6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde

C11H5F3O4 — CID 134828242

IUPAC6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde
SMILESO=Cc1c(O)ccc2oc(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C11H5F3O4/c12-11(13,14)9-3-7(17)10-5(4-15)6(16)1-2-8(10)18-9/h1-4,16H
InChIKeyFCCIHCOFDWLUDE-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.33
Rot. Bonds1

About 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde

6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde (PubChem CID 134828242) has the molecular formula C11H5F3O4 and a molecular weight of 258.15 g/mol. Its IUPAC name is 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde
PubChem CID134828242
Molecular FormulaC11H5F3O4
Molecular Weight258.15 g/mol
Exact Mass258.01
IUPAC Name6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde
SMILESO=Cc1c(O)ccc2oc(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C11H5F3O4/c12-11(13,14)9-3-7(17)10-5(4-15)6(16)1-2-8(10)18-9/h1-4,16H
InChIKeyFCCIHCOFDWLUDE-UHFFFAOYSA-N
XLogP2.33
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde?
The IUPAC name of 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde (CID 134828242) is 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde.
What is the SMILES notation for 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde?
The canonical SMILES for 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde is O=Cc1c(O)ccc2oc(C(F)(F)F)cc(=O)c12.
What is the InChIKey of 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde?
The InChIKey is FCCIHCOFDWLUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3O4/c12-11(13,14)9-3-7(17)10-5(4-15)6(16)1-2-8(10)18-9/h1-4,16H.
What are the key properties of 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde?
6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde has a molecular weight of 258.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-oxo-2-(trifluoromethyl)chromene-5-carbaldehyde is sourced from PubChem (CID 134828242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).