N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C13H17F2NO — CID 83049623

IUPACN-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(ccc(F)c2F)C1NCC
InChIInChI=1S/C13H17F2NO/c1-3-5-10-12(16-4-2)8-6-7-9(14)11(15)13(8)17-10/h6-7,10,12,16H,3-5H2,1-2H3
InChIKeyFGDBWKATHXKJOZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.18
Rot. Bonds4

About N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049623) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049623
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(ccc(F)c2F)C1NCC
InChIInChI=1S/C13H17F2NO/c1-3-5-10-12(16-4-2)8-6-7-9(14)11(15)13(8)17-10/h6-7,10,12,16H,3-5H2,1-2H3
InChIKeyFGDBWKATHXKJOZ-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049623) is N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(ccc(F)c2F)C1NCC.
What is the InChIKey of N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FGDBWKATHXKJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-3-5-10-12(16-4-2)8-6-7-9(14)11(15)13(8)17-10/h6-7,10,12,16H,3-5H2,1-2H3.
What are the key properties of N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 241.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).