5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid

C10H8BrF2NO2 — CID 121365537

IUPAC5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1c2ccc(Br)cc2CC1C(F)F
InChIInChI=1S/C10H8BrF2NO2/c11-6-1-2-7-5(3-6)4-8(9(12)13)14(7)10(15)16/h1-3,8-9H,4H2,(H,15,16)
InChIKeyODXWBOQHYSJGRW-UHFFFAOYSA-N
MW292.08 g/mol
LogP3.12
Rot. Bonds1

About 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid

5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid (PubChem CID 121365537) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
PubChem CID121365537
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC Name5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1c2ccc(Br)cc2CC1C(F)F
InChIInChI=1S/C10H8BrF2NO2/c11-6-1-2-7-5(3-6)4-8(9(12)13)14(7)10(15)16/h1-3,8-9H,4H2,(H,15,16)
InChIKeyODXWBOQHYSJGRW-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid (CID 121365537) is 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid is O=C(O)N1c2ccc(Br)cc2CC1C(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is ODXWBOQHYSJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c11-6-1-2-7-5(3-6)4-8(9(12)13)14(7)10(15)16/h1-3,8-9H,4H2,(H,15,16).
What are the key properties of 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 292.08 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 121365537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).