3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol

C16H10F3NO3 — CID 3631020

IUPAC3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-11-7-5-10(6-8-11)20-9-14-12-3-1-2-4-13(12)15(21)22-14/h1-9,21H/b20-9+
InChIKeyDZQIQMOZGYKVJO-AWQFTUOYSA-N
MW321.25 g/mol
LogP4.79
Rot. Bonds3

About 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol

3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol (PubChem CID 3631020) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol
PubChem CID3631020
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-11-7-5-10(6-8-11)20-9-14-12-3-1-2-4-13(12)15(21)22-14/h1-9,21H/b20-9+
InChIKeyDZQIQMOZGYKVJO-AWQFTUOYSA-N
XLogP4.79
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol (CID 3631020) is 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol is Oc1oc(/C=N/c2ccc(OC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol?
The InChIKey is DZQIQMOZGYKVJO-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)23-11-7-5-10(6-8-11)20-9-14-12-3-1-2-4-13(12)15(21)22-14/h1-9,21H/b20-9+.
What are the key properties of 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol?
3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol has a molecular weight of 321.25 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenyl]iminomethyl]-2-benzofuran-1-ol is sourced from PubChem (CID 3631020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).