3-(trifluoromethyl)-1,2-dihydroindol-3-ol

C9H8F3NO — CID 130136128

IUPAC3-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESOC1(C(F)(F)F)CNc2ccccc21
InChIInChI=1S/C9H8F3NO/c10-9(11,12)8(14)5-13-7-4-2-1-3-6(7)8/h1-4,13-14H,5H2
InChIKeyOETSYRWNRDAGEJ-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.86
Rot. Bonds

About 3-(trifluoromethyl)-1,2-dihydroindol-3-ol

3-(trifluoromethyl)-1,2-dihydroindol-3-ol (PubChem CID 130136128) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2-dihydroindol-3-ol
PubChem CID130136128
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name3-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESOC1(C(F)(F)F)CNc2ccccc21
InChIInChI=1S/C9H8F3NO/c10-9(11,12)8(14)5-13-7-4-2-1-3-6(7)8/h1-4,13-14H,5H2
InChIKeyOETSYRWNRDAGEJ-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The IUPAC name of 3-(trifluoromethyl)-1,2-dihydroindol-3-ol (CID 130136128) is 3-(trifluoromethyl)-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-(trifluoromethyl)-1,2-dihydroindol-3-ol is OC1(C(F)(F)F)CNc2ccccc21.
What is the InChIKey of 3-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The InChIKey is OETSYRWNRDAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)8(14)5-13-7-4-2-1-3-6(7)8/h1-4,13-14H,5H2.
What are the key properties of 3-(trifluoromethyl)-1,2-dihydroindol-3-ol?
3-(trifluoromethyl)-1,2-dihydroindol-3-ol has a molecular weight of 203.16 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2-dihydroindol-3-ol is sourced from PubChem (CID 130136128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).