6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid

C10H9F2NO2 — CID 121365533

IUPAC6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccc(C(F)F)cc21
InChIInChI=1S/C10H9F2NO2/c11-9(12)7-2-1-6-3-4-13(10(14)15)8(6)5-7/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyKORJVPDANFGTLE-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.66
Rot. Bonds1

About 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid

6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid (PubChem CID 121365533) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
PubChem CID121365533
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccc(C(F)F)cc21
InChIInChI=1S/C10H9F2NO2/c11-9(12)7-2-1-6-3-4-13(10(14)15)8(6)5-7/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyKORJVPDANFGTLE-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid
CID 170431060
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole
CID 174880450
7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid
CID 171647835
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid (CID 121365533) is 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid is O=C(O)N1CCc2ccc(C(F)F)cc21.
What is the InChIKey of 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is KORJVPDANFGTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-9(12)7-2-1-6-3-4-13(10(14)15)8(6)5-7/h1-2,5,9H,3-4H2,(H,14,15).
What are the key properties of 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid?
6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 213.18 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 121365533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).