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

C13H17F2NO2 — CID 177205680

IUPAC6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2ccc(OC(F)F)cc2OC1CC
InChIInChI=1S/C13H17F2NO2/c1-3-10-12(16-4-2)9-6-5-8(17-13(14)15)7-11(9)18-10/h5-7,10,12-13,16H,3-4H2,1-2H3
InChIKeyBQIRKMNAGIEYJP-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.11
Rot. Bonds5

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

6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 177205680) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID177205680
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1c2ccc(OC(F)F)cc2OC1CC
InChIInChI=1S/C13H17F2NO2/c1-3-10-12(16-4-2)9-6-5-8(17-13(14)15)7-11(9)18-10/h5-7,10,12-13,16H,3-4H2,1-2H3
InChIKeyBQIRKMNAGIEYJP-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine (CID 177205680) is 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1c2ccc(OC(F)F)cc2OC1CC.
What is the InChIKey of 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BQIRKMNAGIEYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-10-12(16-4-2)9-6-5-8(17-13(14)15)7-11(9)18-10/h5-7,10,12-13,16H,3-4H2,1-2H3.
What are the key properties of 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine?
6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 257.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 177205680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).