2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one

C10H10F3NO — CID 83208492

IUPAC2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)6-14-4-7-2-1-3-9(15)8(7)5-14/h4-5H,1-3,6H2
InChIKeyVWWSJPYJSRCRPK-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.57
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one

2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one (PubChem CID 83208492) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one
PubChem CID83208492
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)6-14-4-7-2-1-3-9(15)8(7)5-14/h4-5H,1-3,6H2
InChIKeyVWWSJPYJSRCRPK-UHFFFAOYSA-N
XLogP2.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one (CID 83208492) is 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one is O=C1CCCc2cn(CC(F)(F)F)cc21.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
The InChIKey is VWWSJPYJSRCRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)6-14-4-7-2-1-3-9(15)8(7)5-14/h4-5H,1-3,6H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one?
2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one has a molecular weight of 217.19 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-isoindol-4-one is sourced from PubChem (CID 83208492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).