2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole

C8H10F3NO — CID 18987453

IUPAC2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole
SMILESCCOCc1ccc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H10F3NO/c1-2-13-5-6-3-4-7(12-6)8(9,10)11/h3-4,12H,2,5H2,1H3
InChIKeyUTZUXTNPSMKUIS-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.57
Rot. Bonds3

About 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole

2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole (PubChem CID 18987453) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole
PubChem CID18987453
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole
SMILESCCOCc1ccc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H10F3NO/c1-2-13-5-6-3-4-7(12-6)8(9,10)11/h3-4,12H,2,5H2,1H3
InChIKeyUTZUXTNPSMKUIS-UHFFFAOYSA-N
XLogP2.57
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole (CID 18987453) is 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole is CCOCc1ccc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole?
The InChIKey is UTZUXTNPSMKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-13-5-6-3-4-7(12-6)8(9,10)11/h3-4,12H,2,5H2,1H3.
What are the key properties of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole?
2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole has a molecular weight of 193.17 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 18987453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).