6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole

C9H10FNO — CID 130064518

IUPAC6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cc(F)cc2c1CNC2
InChIInChI=1S/C9H10FNO/c1-12-9-3-7(10)2-6-4-11-5-8(6)9/h2-3,11H,4-5H2,1H3
InChIKeyCHMFHDFJYUBGQC-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.44
Rot. Bonds1

About 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole

6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole (PubChem CID 130064518) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
PubChem CID130064518
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cc(F)cc2c1CNC2
InChIInChI=1S/C9H10FNO/c1-12-9-3-7(10)2-6-4-11-5-8(6)9/h2-3,11H,4-5H2,1H3
InChIKeyCHMFHDFJYUBGQC-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-difluoro-2,3-dihydro-1H-isoindole
CID 117275596
5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole
CID 175497049
4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride
CID 165391266
4-chloro-5-[3-[(4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-yl)oxy]propoxy]-6-methoxy-2,3-dihydro-1H-isoindole
CID 167240823
5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 160976441
methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 138987651
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
5,6,8-trimethoxy-2,3-dihydro-1H-isoquinolin-4-one
CID 82048530
N-(4-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
CID 118074227
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole (CID 130064518) is 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole is COc1cc(F)cc2c1CNC2.
What is the InChIKey of 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
The InChIKey is CHMFHDFJYUBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-12-9-3-7(10)2-6-4-11-5-8(6)9/h2-3,11H,4-5H2,1H3.
What are the key properties of 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole has a molecular weight of 167.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 130064518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).