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

C11H16FNO — CID 142279514

IUPAC8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
SMILESCNC.Fc1cccc2c1COCC2
InChIInChI=1S/C9H9FO.C2H7N/c10-9-3-1-2-7-4-5-11-6-8(7)9;1-3-2/h1-3H,4-6H2;3H,1-2H3
InChIKeyHMQKVKRLLQGPPL-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.73
Rot. Bonds

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

8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine (PubChem CID 142279514) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
PubChem CID142279514
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
SMILESCNC.Fc1cccc2c1COCC2
InChIInChI=1S/C9H9FO.C2H7N/c10-9-3-1-2-7-4-5-11-6-8(7)9;1-3-2/h1-3H,4-6H2;3H,1-2H3
InChIKeyHMQKVKRLLQGPPL-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279468
8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene
CID 171496490
8-chloro-3,4-dihydro-1H-isochromene
CID 90917909
6,8-difluoro-3,4-dihydro-1H-isochromene
CID 67072865
(1S)-8-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine
CID 175402532
8-fluoro-3,4-dihydro-1H-isochromen-4-ol;N-methylmethanamine
CID 142279492
3,4-dihydro-1H-isochromen-8-ylmethanamine
CID 82596475
1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105460931
methyl 2-(3,4-dihydro-1H-isochromen-8-yl)acetate
CID 176954749
3,4-dihydro-1H-isochromene;ethane;methanamine
CID 142279347
methyl 2-(3,4-dihydro-1H-isochromen-8-yl)propanoate
CID 165495757
4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine
CID 117306878

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine?
The IUPAC name of 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine (CID 142279514) is 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine.
What is the SMILES notation for 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine?
The canonical SMILES for 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine is CNC.Fc1cccc2c1COCC2.
What is the InChIKey of 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine?
The InChIKey is HMQKVKRLLQGPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO.C2H7N/c10-9-3-1-2-7-4-5-11-6-8(7)9;1-3-2/h1-3H,4-6H2;3H,1-2H3.
What are the key properties of 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine?
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine has a molecular weight of 197.25 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine is sourced from PubChem (CID 142279514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).