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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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).