1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde

C10H8F3NO — CID 139349957

IUPAC1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CNC2C(F)(F)F
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9-8-2-1-6(5-15)3-7(8)4-14-9/h1-3,5,9,14H,4H2
InChIKeyXOBSKXVNGRVPFL-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.21
Rot. Bonds1

About 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde

1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde (PubChem CID 139349957) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde
PubChem CID139349957
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CNC2C(F)(F)F
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9-8-2-1-6(5-15)3-7(8)4-14-9/h1-3,5,9,14H,4H2
InChIKeyXOBSKXVNGRVPFL-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-9-ethenyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindo l-6(2H)-one
CID 11427139
2-methyl-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 52941968
5-methyl-2,3-dihydro-1H-isoindol-1-one
CID 22064671
6-Methyl-2,3-dihydro-1H-isoindol-1-one
CID 12496473
1-(2,3-dihydro-1H-isoindol-5-yl)ethan-1-one hydrochloride
CID 71301993
5-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one
CID 100612119
2-Methyl-6-(trifluoromethyl)isoindolin-1-one
CID 138985020
5-(aminomethyl)-2,3-dihydro-1H-isoindol-1-one hydrochloride
CID 71699931
6-(aminomethyl)-2,3-dihydro-1H-isoindol-1-one hydrochloride
CID 71699952
3,3-Dimethyl-2-propan-2-yl-6-(trifluoromethyl)isoindol-1-one
CID 134859798
(3S)-3-phenacyl-5-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 164681146
2-Methylisoindoline-5-carbaldehyde
CID 13666937

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde?
The IUPAC name of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde (CID 139349957) is 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde.
What is the SMILES notation for 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde?
The canonical SMILES for 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde is O=Cc1ccc2c(c1)CNC2C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde?
The InChIKey is XOBSKXVNGRVPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)9-8-2-1-6(5-15)3-7(8)4-14-9/h1-3,5,9,14H,4H2.
What are the key properties of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde?
1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde has a molecular weight of 215.17 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde is sourced from PubChem (CID 139349957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).