3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H13ClFNO2 — CID 62538426

IUPAC3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-5-9(1-4-13(12)17)7-18-14-8-20-15-6-10(19)2-3-11(14)15/h1-6,14,18-19H,7-8H2
InChIKeyTVLBEFXBMYGZJV-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.41
Rot. Bonds3

About 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 62538426) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID62538426
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-5-9(1-4-13(12)17)7-18-14-8-20-15-6-10(19)2-3-11(14)15/h1-6,14,18-19H,7-8H2
InChIKeyTVLBEFXBMYGZJV-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 62538426) is 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is TVLBEFXBMYGZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-5-9(1-4-13(12)17)7-18-14-8-20-15-6-10(19)2-3-11(14)15/h1-6,14,18-19H,7-8H2.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 293.73 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 62538426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).