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

C16H10F3NO2 — CID 4516214

IUPAC3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)10-5-7-11(8-6-10)20-9-14-12-3-1-2-4-13(12)15(21)22-14/h1-9,21H/b20-9+
InChIKeyDHXIRIJIXBNFLQ-AWQFTUOYSA-N
MW305.26 g/mol
LogP4.91
Rot. Bonds2

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

3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol (PubChem CID 4516214) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol
PubChem CID4516214
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)10-5-7-11(8-6-10)20-9-14-12-3-1-2-4-13(12)15(21)22-14/h1-9,21H/b20-9+
InChIKeyDHXIRIJIXBNFLQ-AWQFTUOYSA-N
XLogP4.91
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol (CID 4516214) is 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol is Oc1oc(/C=N/c2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol?
The InChIKey is DHXIRIJIXBNFLQ-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)10-5-7-11(8-6-10)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-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol?
3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol has a molecular weight of 305.26 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]iminomethyl]-2-benzofuran-1-ol is sourced from PubChem (CID 4516214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).