3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one

C10H9F2NO2 — CID 42645423

IUPAC3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)C(F)F
InChIInChI=1S/C10H9F2NO2/c1-13-8(14)6-4-2-3-5-7(6)10(13,15)9(11)12/h2-5,9,15H,1H3
InChIKeyGIUPEJGXGTUCAF-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.18
Rot. Bonds1

About 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one

3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one (PubChem CID 42645423) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one.

Molecular Properties

Compound Name3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one
PubChem CID42645423
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccccc2C1(O)C(F)F
InChIInChI=1S/C10H9F2NO2/c1-13-8(14)6-4-2-3-5-7(6)10(13,15)9(11)12/h2-5,9,15H,1H3
InChIKeyGIUPEJGXGTUCAF-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10132088
3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-Cyclopropyl-3-hydroxy-3-phenyl-1-isoindolinone
CID 2971914
2-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 3240743
5-Hydroxy-1-methyl-5-phenylpyrrolidin-2-one
CID 211451
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone
CID 2955856
2-[2-(2-Fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
CID 3237528
3-Hydroxy-3-phenyl-2-(2-phenylethyl)-1-isoindolinone
CID 2974992
2-((Bis(1-methylethyl)amino)carbonyl)benzoic acid
CID 209756
2-Pyrrolidinone, 5-hydroxy-1-methyl-5-(3-(trifluoromethyl)phenyl)-
CID 3044237

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one?
The IUPAC name of 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one (CID 42645423) is 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one.
What is the SMILES notation for 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one?
The canonical SMILES for 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one is CN1C(=O)c2ccccc2C1(O)C(F)F.
What is the InChIKey of 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one?
The InChIKey is GIUPEJGXGTUCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-13-8(14)6-4-2-3-5-7(6)10(13,15)9(11)12/h2-5,9,15H,1H3.
What are the key properties of 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one?
3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one has a molecular weight of 213.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3-hydroxy-2-methylisoindol-1-one is sourced from PubChem (CID 42645423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).