1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol

C10H10F3NO — CID 58868703

IUPAC1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc2c(c1)NCC2)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(15)7-2-1-6-3-4-14-8(6)5-7/h1-2,5,9,14-15H,3-4H2
InChIKeyWQYYADXBBBVWPY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.25
Rot. Bonds1

About 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol

1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol (PubChem CID 58868703) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol
PubChem CID58868703
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc2c(c1)NCC2)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(15)7-2-1-6-3-4-14-8(6)5-7/h1-2,5,9,14-15H,3-4H2
InChIKeyWQYYADXBBBVWPY-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol (CID 58868703) is 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol is OC(c1ccc2c(c1)NCC2)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol?
The InChIKey is WQYYADXBBBVWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9(15)7-2-1-6-3-4-14-8(6)5-7/h1-2,5,9,14-15H,3-4H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol?
1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol has a molecular weight of 217.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-6-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 58868703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).