5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole

C8H12F3N — CID 170028852

IUPAC5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCCC1=CC(C(F)(F)F)CN1C
InChIInChI=1S/C8H12F3N/c1-3-7-4-6(5-12(7)2)8(9,10)11/h4,6H,3,5H2,1-2H3
InChIKeyFLHOMOOAAKYYNC-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.40
Rot. Bonds1

About 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole

5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 170028852) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID170028852
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCCC1=CC(C(F)(F)F)CN1C
InChIInChI=1S/C8H12F3N/c1-3-7-4-6(5-12(7)2)8(9,10)11/h4,6H,3,5H2,1-2H3
InChIKeyFLHOMOOAAKYYNC-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole (CID 170028852) is 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole is CCC1=CC(C(F)(F)F)CN1C.
What is the InChIKey of 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is FLHOMOOAAKYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-7-4-6(5-12(7)2)8(9,10)11/h4,6H,3,5H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 179.18 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 170028852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).