6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde

C16H9F3O2 — CID 122475933

IUPAC6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2ccc(-c3cccc(C(F)(F)F)c3)cc2o1
InChIInChI=1S/C16H9F3O2/c17-16(18,19)13-3-1-2-10(6-13)11-4-5-12-7-14(9-20)21-15(12)8-11/h1-9H
InChIKeyJKEWBMWDHYXEHH-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.93
Rot. Bonds2

About 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde

6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde (PubChem CID 122475933) has the molecular formula C16H9F3O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde
PubChem CID122475933
Molecular FormulaC16H9F3O2
Molecular Weight290.24 g/mol
Exact Mass290.06
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2ccc(-c3cccc(C(F)(F)F)c3)cc2o1
InChIInChI=1S/C16H9F3O2/c17-16(18,19)13-3-1-2-10(6-13)11-4-5-12-7-14(9-20)21-15(12)8-11/h1-9H
InChIKeyJKEWBMWDHYXEHH-UHFFFAOYSA-N
XLogP4.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde (CID 122475933) is 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde is O=Cc1cc2ccc(-c3cccc(C(F)(F)F)c3)cc2o1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde?
The InChIKey is JKEWBMWDHYXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3O2/c17-16(18,19)13-3-1-2-10(6-13)11-4-5-12-7-14(9-20)21-15(12)8-11/h1-9H.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde?
6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde has a molecular weight of 290.24 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 122475933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).