[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol

C8H10F3NO2 — CID 66398264

IUPAC[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)14-4-3-12-2-1-7(5-12)6-13/h1-2,5,13H,3-4,6H2
InChIKeyAKZCKUZAJJLYMG-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.52
Rot. Bonds4

About [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol

[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol (PubChem CID 66398264) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol
PubChem CID66398264
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)14-4-3-12-2-1-7(5-12)6-13/h1-2,5,13H,3-4,6H2
InChIKeyAKZCKUZAJJLYMG-UHFFFAOYSA-N
XLogP1.52
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol (CID 66398264) is [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol is OCc1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol?
The InChIKey is AKZCKUZAJJLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)14-4-3-12-2-1-7(5-12)6-13/h1-2,5,13H,3-4,6H2.
What are the key properties of [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol?
[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol has a molecular weight of 209.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66398264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).