6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde

C10H10FNO — CID 142483622

IUPAC6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde
SMILESCN1Cc2cc(F)c(C=O)cc2C1
InChIInChI=1S/C10H10FNO/c1-12-4-7-2-9(6-13)10(11)3-8(7)5-12/h2-3,6H,4-5H2,1H3
InChIKeyGNVJPUIMZBBAQF-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.58
Rot. Bonds1

About 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde

6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde (PubChem CID 142483622) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde
PubChem CID142483622
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde
SMILESCN1Cc2cc(F)c(C=O)cc2C1
InChIInChI=1S/C10H10FNO/c1-12-4-7-2-9(6-13)10(11)3-8(7)5-12/h2-3,6H,4-5H2,1H3
InChIKeyGNVJPUIMZBBAQF-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-formyl-2,3-dihydro-1H-isoindole-2-carboxylate
CID 21250554
4-((Pyrrolidin-1-yl)methyl)benzaldehyde
CID 23090828
1,1-Dimethylethyl 4-formyl-1,3-dihydro-2H-isoindole-2-carboxylate
CID 50999120
1-(2,3-dihydro-1H-isoindol-5-yl)ethan-1-one hydrochloride
CID 71301993
2-[(4-Fluorophenyl)methyl]-5-methylisoindole-1,3-dione
CID 118731149
5-Fluoro-2-methylisoindolin-1-one
CID 72207215
2-Methyl-6-(trifluoromethyl)isoindolin-1-one
CID 138985020
1,1,3,3-Tetramethylisoindoline-5-carbaldehyde
CID 641031
2-Butyl-5-methylisoindole-1,3-dione
CID 21017944
3,3-Dimethyl-2-propan-2-yl-6-(trifluoromethyl)isoindol-1-one
CID 134859798
CID 10704039
CID 10704039
2,4-Dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
CID 17325523

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde?
The IUPAC name of 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde (CID 142483622) is 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde?
The canonical SMILES for 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde is CN1Cc2cc(F)c(C=O)cc2C1.
What is the InChIKey of 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde?
The InChIKey is GNVJPUIMZBBAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-4-7-2-9(6-13)10(11)3-8(7)5-12/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde?
6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,3-dihydroisoindole-5-carbaldehyde is sourced from PubChem (CID 142483622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).