[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C13H12FNO2 — CID 129385663

IUPAC[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(F)cc(-c3ccoc3)c2O1
InChIInChI=1S/C13H12FNO2/c14-10-3-9-4-11(6-15)17-13(9)12(5-10)8-1-2-16-7-8/h1-3,5,7,11H,4,6,15H2/t11-/m0/s1
InChIKeyVTICPXRZUGBMPZ-NSHDSACASA-N
MW233.24 g/mol
LogP2.35
Rot. Bonds2

About [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129385663) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129385663
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@@H]1Cc2cc(F)cc(-c3ccoc3)c2O1
InChIInChI=1S/C13H12FNO2/c14-10-3-9-4-11(6-15)17-13(9)12(5-10)8-1-2-16-7-8/h1-3,5,7,11H,4,6,15H2/t11-/m0/s1
InChIKeyVTICPXRZUGBMPZ-NSHDSACASA-N
XLogP2.35
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 141153986
[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
CID 56706391
[(2S)-5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125168273
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664
[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11403470
[(2R)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95219228
(2S)-7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran;[(2R)-7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 158978054
[(2S)-5-fluoro-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95219227
[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92981403
3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide
CID 56705794

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129385663) is [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@@H]1Cc2cc(F)cc(-c3ccoc3)c2O1.
What is the InChIKey of [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is VTICPXRZUGBMPZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H12FNO2/c14-10-3-9-4-11(6-15)17-13(9)12(5-10)8-1-2-16-7-8/h1-3,5,7,11H,4,6,15H2/t11-/m0/s1.
What are the key properties of [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 233.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-fluoro-7-(furan-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129385663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).