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

C10H9F2NO3 — CID 170431060

IUPAC6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C10H9F2NO3/c11-9(12)16-7-2-1-6-3-4-13(10(14)15)8(6)5-7/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyQFHIYEKRENANKV-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.33
Rot. Bonds2

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

6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid (PubChem CID 170431060) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid
PubChem CID170431060
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C10H9F2NO3/c11-9(12)16-7-2-1-6-3-4-13(10(14)15)8(6)5-7/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyQFHIYEKRENANKV-UHFFFAOYSA-N
XLogP2.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
CID 121365533
6-(difluoromethoxy)-2,3-dihydro-1,4-benzothiazine-4-carboxylic acid
CID 175318934
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 2446018
2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 6905784
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 42975764
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-1-carboxamide
CID 60603541
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
4-[2-amino-5-(difluoromethoxy)phenyl]-1-methylpiperidine-4-carboxylic acid
CID 106702362
(E)-3-[2-(difluoromethoxy)phenyl]-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55497148

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid (CID 170431060) is 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid is O=C(O)N1CCc2ccc(OC(F)F)cc21.
What is the InChIKey of 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is QFHIYEKRENANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-9(12)16-7-2-1-6-3-4-13(10(14)15)8(6)5-7/h1-2,5,9H,3-4H2,(H,14,15).
What are the key properties of 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid?
6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 229.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 170431060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).