[5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol

C7H8F3NO — CID 141135233

IUPAC[5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol
SMILESCc1cc(C(F)(F)F)c(CO)[nH]1
InChIInChI=1S/C7H8F3NO/c1-4-2-5(7(8,9)10)6(3-12)11-4/h2,11-12H,3H2,1H3
InChIKeySPQGGEDZJNDXOS-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.83
Rot. Bonds1

About [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol

[5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol (PubChem CID 141135233) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol
PubChem CID141135233
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name[5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol
SMILESCc1cc(C(F)(F)F)c(CO)[nH]1
InChIInChI=1S/C7H8F3NO/c1-4-2-5(7(8,9)10)6(3-12)11-4/h2,11-12H,3H2,1H3
InChIKeySPQGGEDZJNDXOS-UHFFFAOYSA-N
XLogP1.83
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol 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 [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol?
The IUPAC name of [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol (CID 141135233) is [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol is Cc1cc(C(F)(F)F)c(CO)[nH]1.
What is the InChIKey of [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol?
The InChIKey is SPQGGEDZJNDXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-2-5(7(8,9)10)6(3-12)11-4/h2,11-12H,3H2,1H3.
What are the key properties of [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol?
[5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol has a molecular weight of 179.14 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(trifluoromethyl)-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 141135233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).