2-[7-(trifluoromethoxy)indol-1-yl]ethanol

C11H10F3NO2 — CID 67255181

IUPAC2-[7-(trifluoromethoxy)indol-1-yl]ethanol
SMILESOCCn1ccc2cccc(OC(F)(F)F)c21
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)17-9-3-1-2-8-4-5-15(6-7-16)10(8)9/h1-5,16H,6-7H2
InChIKeyCYLCIVBSFARXHW-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.53
Rot. Bonds3

About 2-[7-(trifluoromethoxy)indol-1-yl]ethanol

2-[7-(trifluoromethoxy)indol-1-yl]ethanol (PubChem CID 67255181) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-[7-(trifluoromethoxy)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[7-(trifluoromethoxy)indol-1-yl]ethanol
PubChem CID67255181
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2-[7-(trifluoromethoxy)indol-1-yl]ethanol
SMILESOCCn1ccc2cccc(OC(F)(F)F)c21
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)17-9-3-1-2-8-4-5-15(6-7-16)10(8)9/h1-5,16H,6-7H2
InChIKeyCYLCIVBSFARXHW-UHFFFAOYSA-N
XLogP2.53
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethoxy)indol-1-yl]ethanol?
The IUPAC name of 2-[7-(trifluoromethoxy)indol-1-yl]ethanol (CID 67255181) is 2-[7-(trifluoromethoxy)indol-1-yl]ethanol.
What is the SMILES notation for 2-[7-(trifluoromethoxy)indol-1-yl]ethanol?
The canonical SMILES for 2-[7-(trifluoromethoxy)indol-1-yl]ethanol is OCCn1ccc2cccc(OC(F)(F)F)c21.
What is the InChIKey of 2-[7-(trifluoromethoxy)indol-1-yl]ethanol?
The InChIKey is CYLCIVBSFARXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)17-9-3-1-2-8-4-5-15(6-7-16)10(8)9/h1-5,16H,6-7H2.
What are the key properties of 2-[7-(trifluoromethoxy)indol-1-yl]ethanol?
2-[7-(trifluoromethoxy)indol-1-yl]ethanol has a molecular weight of 245.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trifluoromethoxy)indol-1-yl]ethanol is sourced from PubChem (CID 67255181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).