ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde

C17H15F3O3 — CID 143864881

IUPACethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde
SMILESCC.COc1ccc(C=O)c2c1oc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H9F3O3.C2H6/c1-20-12-4-2-8(7-19)13-10-6-9(15(16,17)18)3-5-11(10)21-14(12)13;1-2/h2-7H,1H3;1-2H3
InChIKeyCZQCHCVXLWFIDX-UHFFFAOYSA-N
MW324.30 g/mol
LogP5.45
Rot. Bonds2

About ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde

ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde (PubChem CID 143864881) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde
PubChem CID143864881
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Nameethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde
SMILESCC.COc1ccc(C=O)c2c1oc1ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H9F3O3.C2H6/c1-20-12-4-2-8(7-19)13-10-6-9(15(16,17)18)3-5-11(10)21-14(12)13;1-2/h2-7H,1H3;1-2H3
InChIKeyCZQCHCVXLWFIDX-UHFFFAOYSA-N
XLogP5.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 55.45
H-Bond Donors ≤ 50
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 ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde?
The IUPAC name of ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde (CID 143864881) is ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde.
What is the SMILES notation for ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde?
The canonical SMILES for ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde is CC.COc1ccc(C=O)c2c1oc1ccc(C(F)(F)F)cc12.
What is the InChIKey of ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde?
The InChIKey is CZQCHCVXLWFIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O3.C2H6/c1-20-12-4-2-8(7-19)13-10-6-9(15(16,17)18)3-5-11(10)21-14(12)13;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde?
ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde has a molecular weight of 324.30 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde is sourced from PubChem (CID 143864881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).