5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

C8H10F3N3 — CID 70938176

IUPAC5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCCN1Cc2nc(C(F)(F)F)[nH]c2C1
InChIInChI=1S/C8H10F3N3/c1-2-14-3-5-6(4-14)13-7(12-5)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyCMVCDBPMBQMSBV-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.76
Rot. Bonds1

About 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 70938176) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID70938176
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCCN1Cc2nc(C(F)(F)F)[nH]c2C1
InChIInChI=1S/C8H10F3N3/c1-2-14-3-5-6(4-14)13-7(12-5)8(9,10)11/h2-4H2,1H3,(H,12,13)
InChIKeyCMVCDBPMBQMSBV-UHFFFAOYSA-N
XLogP1.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (CID 70938176) is 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is CCN1Cc2nc(C(F)(F)F)[nH]c2C1.
What is the InChIKey of 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is CMVCDBPMBQMSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-2-14-3-5-6(4-14)13-7(12-5)8(9,10)11/h2-4H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 205.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 70938176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).