2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde

C12H7F3O2S — CID 59599853

IUPAC2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(-c2cccs2)cc(C(F)(F)F)c1O
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)9-5-7(10-2-1-3-18-10)4-8(6-16)11(9)17/h1-6,17H
InChIKeyMDXNFIYIILMKFN-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.95
Rot. Bonds2

About 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde

2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde (PubChem CID 59599853) has the molecular formula C12H7F3O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde
PubChem CID59599853
Molecular FormulaC12H7F3O2S
Molecular Weight272.25 g/mol
Exact Mass272.01
IUPAC Name2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(-c2cccs2)cc(C(F)(F)F)c1O
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)9-5-7(10-2-1-3-18-10)4-8(6-16)11(9)17/h1-6,17H
InChIKeyMDXNFIYIILMKFN-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde (CID 59599853) is 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde is O=Cc1cc(-c2cccs2)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde?
The InChIKey is MDXNFIYIILMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2S/c13-12(14,15)9-5-7(10-2-1-3-18-10)4-8(6-16)11(9)17/h1-6,17H.
What are the key properties of 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde?
2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde has a molecular weight of 272.25 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-thiophen-2-yl-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 59599853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).