2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one

C10H8F3NO2 — CID 71177037

IUPAC2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one
SMILESCN1Cc2ccc(OC(F)(F)F)cc2C1=O
InChIInChI=1S/C10H8F3NO2/c1-14-5-6-2-3-7(16-10(11,12)13)4-8(6)9(14)15/h2-4H,5H2,1H3
InChIKeyYZVIFOUFZMRQLO-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.17
Rot. Bonds1

About 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one

2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one (PubChem CID 71177037) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one
PubChem CID71177037
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one
SMILESCN1Cc2ccc(OC(F)(F)F)cc2C1=O
InChIInChI=1S/C10H8F3NO2/c1-14-5-6-2-3-7(16-10(11,12)13)4-8(6)9(14)15/h2-4H,5H2,1H3
InChIKeyYZVIFOUFZMRQLO-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-2-methyl-3H-isoindol-1-one
CID 58124079
6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
CID 70886803
2-methyl-6-sulfanyl-3H-isoindol-1-one
CID 146588374
2-propan-2-yl-5-(trifluoromethoxy)-3H-isoindol-1-one
CID 172605277
6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one
CID 68660881
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233
6-(aminomethyl)-2-methyl-3H-isoindol-1-one
CID 83816625
(2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one
CID 142618664
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
CID 167573270
3-(2-methyl-3-oxo-1H-isoindol-5-yl)propanal
CID 117291557
2-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 167424693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one?
The IUPAC name of 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one (CID 71177037) is 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one is CN1Cc2ccc(OC(F)(F)F)cc2C1=O.
What is the InChIKey of 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one?
The InChIKey is YZVIFOUFZMRQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-14-5-6-2-3-7(16-10(11,12)13)4-8(6)9(14)15/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one?
2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one has a molecular weight of 231.17 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one is sourced from PubChem (CID 71177037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).