8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine

C11H16FNO2 — CID 142279492

IUPAC8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine
SMILESCNC.OC1COCc2c(F)cccc21
InChIInChI=1S/C9H9FO2.C2H7N/c10-8-3-1-2-6-7(8)4-12-5-9(6)11;1-3-2/h1-3,9,11H,4-5H2;3H,1-2H3
InChIKeyCPYUCWWWCNLIQO-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.22
Rot. Bonds

About 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine

8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine (PubChem CID 142279492) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine
PubChem CID142279492
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine
SMILESCNC.OC1COCc2c(F)cccc21
InChIInChI=1S/C9H9FO2.C2H7N/c10-8-3-1-2-6-7(8)4-12-5-9(6)11;1-3-2/h1-3,9,11H,4-5H2;3H,1-2H3
InChIKeyCPYUCWWWCNLIQO-UHFFFAOYSA-N
XLogP1.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine
CID 59799575
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
(1S,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol
CID 134208119
(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109
(1R,4R)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol;(1S,4R)-8-fluoro-1-propyl-3,4-dihydro-1H-isochromen-4-ol;(1R,4S)-8-fluoro-1-propyl-3,4-dihydro-1H-isochromen-4-ol
CID 158481919
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
2-N-[(4-chlorophenyl)methyl]-1-N-(8-fluoro-3,4-dihydro-1H-isochromen-4-yl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615170
8-fluoro-3,3-dimethyl-1,4-dihydroisothiochromen-4-ol
CID 82885868
4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821752
tert-butyl N-[2-(8-fluoro-4-hydroxy-3,4-dihydro-1H-isochromen-1-yl)ethyl]carbamate
CID 168876059
1-[8-(4-fluorophenyl)-3,4-dihydro-1H-isochromen-4-yl]-N-methylmethanamine
CID 171496615
(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 51601335

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine?
The IUPAC name of 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine (CID 142279492) is 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine.
What is the SMILES notation for 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine?
The canonical SMILES for 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine is CNC.OC1COCc2c(F)cccc21.
What is the InChIKey of 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine?
The InChIKey is CPYUCWWWCNLIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2.C2H7N/c10-8-3-1-2-6-7(8)4-12-5-9(6)11;1-3-2/h1-3,9,11H,4-5H2;3H,1-2H3.
What are the key properties of 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine?
8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine has a molecular weight of 213.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine is sourced from PubChem (CID 142279492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).