2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde

C11H10F3NO — CID 87624706

IUPAC2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde
SMILESO=CCc1cc2c(cc1C(F)(F)F)CNC2
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10-4-9-6-15-5-8(9)3-7(10)1-2-16/h2-4,15H,1,5-6H2
InChIKeyAKWCJQCYTWNUEN-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.05
Rot. Bonds2

About 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde

2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde (PubChem CID 87624706) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde
PubChem CID87624706
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde
SMILESO=CCc1cc2c(cc1C(F)(F)F)CNC2
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10-4-9-6-15-5-8(9)3-7(10)1-2-16/h2-4,15H,1,5-6H2
InChIKeyAKWCJQCYTWNUEN-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.05
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

5-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one
CID 100612119
2-Methylisoindoline-5-carbaldehyde
CID 13666937
2,3-dihydro-1H-isoindole-4-carbaldehyde
CID 53487438
7-(Trifluoromethyl)isoindolin-1-one
CID 17989862
6-(Trifluoromethyl)isoindolin-1-one
CID 50941536
1-(6-Trifluoromethyl-2,3-dihydro-1H-isoindol-5-yl)-ethanone
CID 57753281
7-Fluoro-5-methyl-2,3-dihydroisoindol-1-one
CID 89086082
1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 130040271
2-[3-fluoro-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenyl]acetaldehyde
CID 135332942
6-Cyclopropyl-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 139349448
1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carbaldehyde
CID 139349957
1-[7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]propan-1-one
CID 139350057

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde?
The IUPAC name of 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde (CID 87624706) is 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde?
The canonical SMILES for 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde is O=CCc1cc2c(cc1C(F)(F)F)CNC2.
What is the InChIKey of 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde?
The InChIKey is AKWCJQCYTWNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)10-4-9-6-15-5-8(9)3-7(10)1-2-16/h2-4,15H,1,5-6H2.
What are the key properties of 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde?
2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde has a molecular weight of 229.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]acetaldehyde is sourced from PubChem (CID 87624706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).