[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol

C13H14F3NO2 — CID 102911952

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
SMILESOCc1cccc2ccn(CCOCC(F)(F)F)c12
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-19-7-6-17-5-4-10-2-1-3-11(8-18)12(10)17/h1-5,18H,6-9H2
InChIKeyJBBYIQXFWDBLRA-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.71
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol

[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol (PubChem CID 102911952) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
PubChem CID102911952
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
SMILESOCc1cccc2ccn(CCOCC(F)(F)F)c12
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-19-7-6-17-5-4-10-2-1-3-11(8-18)12(10)17/h1-5,18H,6-9H2
InChIKeyJBBYIQXFWDBLRA-UHFFFAOYSA-N
XLogP2.71
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol (CID 102911952) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol is OCc1cccc2ccn(CCOCC(F)(F)F)c12.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol?
The InChIKey is JBBYIQXFWDBLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)9-19-7-6-17-5-4-10-2-1-3-11(8-18)12(10)17/h1-5,18H,6-9H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol has a molecular weight of 273.25 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol is sourced from PubChem (CID 102911952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).