2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol

C9H9F2NO — CID 84659924

IUPAC2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc2c(c1)CC(C(F)F)N2
InChIInChI=1S/C9H9F2NO/c10-9(11)8-4-5-3-6(13)1-2-7(5)12-8/h1-3,8-9,12-13H,4H2
InChIKeyIOQAAEHELLVBCJ-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.99
Rot. Bonds1

About 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol

2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol (PubChem CID 84659924) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
PubChem CID84659924
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc2c(c1)CC(C(F)F)N2
InChIInChI=1S/C9H9F2NO/c10-9(11)8-4-5-3-6(13)1-2-7(5)12-8/h1-3,8-9,12-13H,4H2
InChIKeyIOQAAEHELLVBCJ-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
CID 102526168
5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
CID 82276851
5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
CID 84664966
7-bromo-2-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706369
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
CID 89241284
CID 89241284
2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 89069978
6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 54367728
2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 84660863
3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-ol
CID 105472968

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol?
The IUPAC name of 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol (CID 84659924) is 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol.
What is the SMILES notation for 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol?
The canonical SMILES for 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol is Oc1ccc2c(c1)CC(C(F)F)N2.
What is the InChIKey of 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol?
The InChIKey is IOQAAEHELLVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11)8-4-5-3-6(13)1-2-7(5)12-8/h1-3,8-9,12-13H,4H2.
What are the key properties of 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol?
2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol has a molecular weight of 185.17 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol is sourced from PubChem (CID 84659924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).