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

C10H8F3NO — CID 138985020

IUPAC2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one
SMILESCN1Cc2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C10H8F3NO/c1-14-5-6-2-3-7(10(11,12)13)4-8(6)9(14)15/h2-4H,5H2,1H3
InChIKeyODVHWHWNSJCPBO-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.29
Rot. Bonds

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

2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 138985020) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one
PubChem CID138985020
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one
SMILESCN1Cc2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C10H8F3NO/c1-14-5-6-2-3-7(10(11,12)13)4-8(6)9(14)15/h2-4H,5H2,1H3
InChIKeyODVHWHWNSJCPBO-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylphthalimide
CID 11074
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Cyclohexylphthalimide
CID 225739
Phthalimidoacetone
CID 235046
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
2-(3-Methoxypropyl)-3-Oxo-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 20854918
Naphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 795353
2-Benzylisoindolin-1-one
CID 1485883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one (CID 138985020) is 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one is CN1Cc2ccc(C(F)(F)F)cc2C1=O.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one?
The InChIKey is ODVHWHWNSJCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-14-5-6-2-3-7(10(11,12)13)4-8(6)9(14)15/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one?
2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 215.17 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 138985020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).