6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine

C9H9F2NO2 — CID 63097077

IUPAC6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OC(F)F)ccc21
InChIInChI=1S/C9H9F2NO2/c10-9(11)14-5-1-2-6-7(12)4-13-8(6)3-5/h1-3,7,9H,4,12H2
InChIKeySTWQPAOUAVCOBV-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.68
Rot. Bonds2

About 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine

6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63097077) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63097077
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2cc(OC(F)F)ccc21
InChIInChI=1S/C9H9F2NO2/c10-9(11)14-5-1-2-6-7(12)4-13-8(6)3-5/h1-3,7,9H,4,12H2
InChIKeySTWQPAOUAVCOBV-UHFFFAOYSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 63097077) is 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine is NC1COc2cc(OC(F)F)ccc21.
What is the InChIKey of 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is STWQPAOUAVCOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11)14-5-1-2-6-7(12)4-13-8(6)3-5/h1-3,7,9H,4,12H2.
What are the key properties of 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 201.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63097077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).