4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C12H15F2NO — CID 83049517

IUPAC4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(F)cc(F)c2C1NC
InChIInChI=1S/C12H15F2NO/c1-3-4-9-12(15-2)11-8(14)5-7(13)6-10(11)16-9/h5-6,9,12,15H,3-4H2,1-2H3
InChIKeyBFYZSSQLAJXHSR-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.79
Rot. Bonds3

About 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049517) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049517
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(F)cc(F)c2C1NC
InChIInChI=1S/C12H15F2NO/c1-3-4-9-12(15-2)11-8(14)5-7(13)6-10(11)16-9/h5-6,9,12,15H,3-4H2,1-2H3
InChIKeyBFYZSSQLAJXHSR-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049517) is 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2cc(F)cc(F)c2C1NC.
What is the InChIKey of 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BFYZSSQLAJXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-4-9-12(15-2)11-8(14)5-7(13)6-10(11)16-9/h5-6,9,12,15H,3-4H2,1-2H3.
What are the key properties of 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 227.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).