8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one

C11H12FNO2 — CID 165441355

IUPAC8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one
SMILESCNCC1Cc2cccc(F)c2C(=O)O1
InChIInChI=1S/C11H12FNO2/c1-13-6-8-5-7-3-2-4-9(12)10(7)11(14)15-8/h2-4,8,13H,5-6H2,1H3
InChIKeyWUWSMPJXFAMXBI-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.13
Rot. Bonds2

About 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one

8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one (PubChem CID 165441355) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one
PubChem CID165441355
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one
SMILESCNCC1Cc2cccc(F)c2C(=O)O1
InChIInChI=1S/C11H12FNO2/c1-13-6-8-5-7-3-2-4-9(12)10(7)11(14)15-8/h2-4,8,13H,5-6H2,1H3
InChIKeyWUWSMPJXFAMXBI-UHFFFAOYSA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[7-(2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
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N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
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1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine;hydrochloride
CID 141132350
1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11961219
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]methanamine
CID 63646715
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 158038187
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
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N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one (CID 165441355) is 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one is CNCC1Cc2cccc(F)c2C(=O)O1.
What is the InChIKey of 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one?
The InChIKey is WUWSMPJXFAMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13-6-8-5-7-3-2-4-9(12)10(7)11(14)15-8/h2-4,8,13H,5-6H2,1H3.
What are the key properties of 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one?
8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one has a molecular weight of 209.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 165441355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).