1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine

C11H13F2NO — CID 103517236

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cccc2c1OCC2)C(F)F
InChIInChI=1S/C11H13F2NO/c1-14-9(11(12)13)8-4-2-3-7-5-6-15-10(7)8/h2-4,9,11,14H,5-6H2,1H3
InChIKeyQRXDBBQCOXLWQW-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine (PubChem CID 103517236) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
PubChem CID103517236
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cccc2c1OCC2)C(F)F
InChIInChI=1S/C11H13F2NO/c1-14-9(11(12)13)8-4-2-3-7-5-6-15-10(7)8/h2-4,9,11,14H,5-6H2,1H3
InChIKeyQRXDBBQCOXLWQW-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
CID 114747694
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830699
1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053189
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216476
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114745874
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine (CID 103517236) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine is CNC(c1cccc2c1OCC2)C(F)F.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine?
The InChIKey is QRXDBBQCOXLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-14-9(11(12)13)8-4-2-3-7-5-6-15-10(7)8/h2-4,9,11,14H,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine has a molecular weight of 213.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 103517236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).