1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol

C8H10F3NO2 — CID 103210299

IUPAC1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-4-7(13)6-1-2-12-3-6/h1-3,7,12-13H,4-5H2
InChIKeyCKFFJDZFESTYPV-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.63
Rot. Bonds4

About 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103210299) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103210299
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-4-7(13)6-1-2-12-3-6/h1-3,7,12-13H,4-5H2
InChIKeyCKFFJDZFESTYPV-UHFFFAOYSA-N
XLogP1.63
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103210299) is 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol is OC(COCC(F)(F)F)c1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is CKFFJDZFESTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)5-14-4-7(13)6-1-2-12-3-6/h1-3,7,12-13H,4-5H2.
What are the key properties of 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 209.17 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103210299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).