1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole

C8H10F3NO — CID 154656219

IUPAC1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole
SMILESCOCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C8H10F3NO/c1-13-5-4-12-3-2-7(6-12)8(9,10)11/h2-3,6H,4-5H2,1H3
InChIKeyGSIAUTFXEBYNII-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole

1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole (PubChem CID 154656219) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole
PubChem CID154656219
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole
SMILESCOCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C8H10F3NO/c1-13-5-4-12-3-2-7(6-12)8(9,10)11/h2-3,6H,4-5H2,1H3
InChIKeyGSIAUTFXEBYNII-UHFFFAOYSA-N
XLogP2.15
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole?
The IUPAC name of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole (CID 154656219) is 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole is COCCn1ccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole?
The InChIKey is GSIAUTFXEBYNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-13-5-4-12-3-2-7(6-12)8(9,10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole?
1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole has a molecular weight of 193.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrole is sourced from PubChem (CID 154656219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).