[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol

C12H12F3NO2 — CID 166624600

IUPAC[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
SMILESCOc1ccc2c(c1)cc(CO)n2CC(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-18-10-2-3-11-8(5-10)4-9(6-17)16(11)7-12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKeyAHKWNBYSPRYIFW-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.70
Rot. Bonds3

About [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol

[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol (PubChem CID 166624600) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
PubChem CID166624600
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
SMILESCOc1ccc2c(c1)cc(CO)n2CC(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-18-10-2-3-11-8(5-10)4-9(6-17)16(11)7-12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKeyAHKWNBYSPRYIFW-UHFFFAOYSA-N
XLogP2.70
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
The IUPAC name of [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol (CID 166624600) is [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol.
What is the SMILES notation for [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
The canonical SMILES for [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol is COc1ccc2c(c1)cc(CO)n2CC(F)(F)F.
What is the InChIKey of [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
The InChIKey is AHKWNBYSPRYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-18-10-2-3-11-8(5-10)4-9(6-17)16(11)7-12(13,14)15/h2-5,17H,6-7H2,1H3.
What are the key properties of [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol has a molecular weight of 259.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol is sourced from PubChem (CID 166624600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).