1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one

C13H16F2N2O2 — CID 103205511

IUPAC1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESNc1ccc2c(c1)CCN2C(=O)CCOCC(F)F
InChIInChI=1S/C13H16F2N2O2/c14-12(15)8-19-6-4-13(18)17-5-3-9-7-10(16)1-2-11(9)17/h1-2,7,12H,3-6,8,16H2
InChIKeyMDKYYNNJHFZYAT-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.83
Rot. Bonds5

About 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one

1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103205511) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103205511
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESNc1ccc2c(c1)CCN2C(=O)CCOCC(F)F
InChIInChI=1S/C13H16F2N2O2/c14-12(15)8-19-6-4-13(18)17-5-3-9-7-10(16)1-2-11(9)17/h1-2,7,12H,3-6,8,16H2
InChIKeyMDKYYNNJHFZYAT-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205513
1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
CID 60923081
1-(5-amino-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 90209639
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
CID 78984493
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63952299
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 83213346
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one (CID 103205511) is 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one is Nc1ccc2c(c1)CCN2C(=O)CCOCC(F)F.
What is the InChIKey of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is MDKYYNNJHFZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-12(15)8-19-6-4-13(18)17-5-3-9-7-10(16)1-2-11(9)17/h1-2,7,12H,3-6,8,16H2.
What are the key properties of 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 270.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103205511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).