5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one

C12H12F4N2O — CID 79660978

IUPAC5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C(F)(F)C(F)F
InChIInChI=1S/C12H12F4N2O/c1-17-10(12(15,16)11(13)14)6-2-3-8-7(4-6)5-9(19)18-8/h2-4,10-11,17H,5H2,1H3,(H,18,19)
InChIKeyUGKUUOIVLPTORR-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.34
Rot. Bonds4

About 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one

5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one (PubChem CID 79660978) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
PubChem CID79660978
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC Name5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C(F)(F)C(F)F
InChIInChI=1S/C12H12F4N2O/c1-17-10(12(15,16)11(13)14)6-2-3-8-7(4-6)5-9(19)18-8/h2-4,10-11,17H,5H2,1H3,(H,18,19)
InChIKeyUGKUUOIVLPTORR-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79659812
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116959878
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458

Frequently Asked Questions

What is the IUPAC name of 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one (CID 79660978) is 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one is CNC(c1ccc2c(c1)CC(=O)N2)C(F)(F)C(F)F.
What is the InChIKey of 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The InChIKey is UGKUUOIVLPTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c1-17-10(12(15,16)11(13)14)6-2-3-8-7(4-6)5-9(19)18-8/h2-4,10-11,17H,5H2,1H3,(H,18,19).
What are the key properties of 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one has a molecular weight of 276.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79660978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).