2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine

C10H12FNO — CID 114747694

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
SMILESNCC(F)c1cccc2c1OCC2
InChIInChI=1S/C10H12FNO/c11-9(6-12)8-3-1-2-7-4-5-13-10(7)8/h1-3,9H,4-6,12H2
InChIKeyBNCUCWYHSDKZQY-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.59
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine

2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine (PubChem CID 114747694) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
PubChem CID114747694
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
SMILESNCC(F)c1cccc2c1OCC2
InChIInChI=1S/C10H12FNO/c11-9(6-12)8-3-1-2-7-4-5-13-10(7)8/h1-3,9H,4-6,12H2
InChIKeyBNCUCWYHSDKZQY-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
CID 103517236
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
CID 114744598
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine
CID 114745088
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107953818

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine (CID 114747694) is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine is NCC(F)c1cccc2c1OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine?
The InChIKey is BNCUCWYHSDKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9(6-12)8-3-1-2-7-4-5-13-10(7)8/h1-3,9H,4-6,12H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine?
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine has a molecular weight of 181.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine is sourced from PubChem (CID 114747694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).