6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole

C13H17F2N — CID 174880450

IUPAC6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole
SMILESCC(C)CN1CCc2ccc(C(F)F)cc21
InChIInChI=1S/C13H17F2N/c1-9(2)8-16-6-5-10-3-4-11(13(14)15)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyWIVFNWGAUCAZLU-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.64
Rot. Bonds3

About 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole

6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole (PubChem CID 174880450) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole.

Molecular Properties

Compound Name6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole
PubChem CID174880450
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole
SMILESCC(C)CN1CCc2ccc(C(F)F)cc21
InChIInChI=1S/C13H17F2N/c1-9(2)8-16-6-5-10-3-4-11(13(14)15)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyWIVFNWGAUCAZLU-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105768
N-methyl-1-[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105770
6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
CID 121365533
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
CID 18735337
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol
CID 115105893
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole
CID 170972533
N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine
CID 18735361

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole?
The IUPAC name of 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole (CID 174880450) is 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole.
What is the SMILES notation for 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole?
The canonical SMILES for 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole is CC(C)CN1CCc2ccc(C(F)F)cc21.
What is the InChIKey of 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole?
The InChIKey is WIVFNWGAUCAZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(2)8-16-6-5-10-3-4-11(13(14)15)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole?
6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole has a molecular weight of 225.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole is sourced from PubChem (CID 174880450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).