6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one

C14H12F3NO2 — CID 139360542

IUPAC6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
SMILESCN1Cc2c(cc(C3=CCOC3)cc2C(F)(F)F)C1=O
InChIInChI=1S/C14H12F3NO2/c1-18-6-11-10(13(18)19)4-9(8-2-3-20-7-8)5-12(11)14(15,16)17/h2,4-5H,3,6-7H2,1H3
InChIKeyQJQOLKKYYIQDFC-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.70
Rot. Bonds1

About 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one

6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 139360542) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
PubChem CID139360542
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
SMILESCN1Cc2c(cc(C3=CCOC3)cc2C(F)(F)F)C1=O
InChIInChI=1S/C14H12F3NO2/c1-18-6-11-10(13(18)19)4-9(8-2-3-20-7-8)5-12(11)14(15,16)17/h2,4-5H,3,6-7H2,1H3
InChIKeyQJQOLKKYYIQDFC-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3,6-dihydro-2H-pyran-5-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360656
6-(4-hydroxy-2-methylpyrrolidine-1-carbonyl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360185
6-[(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360231
6-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360441
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360274
2-methyl-5-[[2-methyl-4-(trifluoromethyl)furan-3-yl]methoxy]-3H-isoindol-1-one
CID 166409301
6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378939
3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane
CID 167508069
6-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
CID 146552574
4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one
CID 133057032
2-[5-[4-(1-ethylpiperidin-4-yl)phenyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]ethyl acetate
CID 175690119
6-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165379188

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one?
The IUPAC name of 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one (CID 139360542) is 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one?
The canonical SMILES for 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one is CN1Cc2c(cc(C3=CCOC3)cc2C(F)(F)F)C1=O.
What is the InChIKey of 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one?
The InChIKey is QJQOLKKYYIQDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-18-6-11-10(13(18)19)4-9(8-2-3-20-7-8)5-12(11)14(15,16)17/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one?
6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 283.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydrofuran-3-yl)-2-methyl-4-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 139360542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).