1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole

C6H8F3NO — CID 123774935

IUPAC1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole
SMILESCN1CC=CC1OC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h2-3,5H,4H2,1H3
InChIKeyDISJHTUFOCEFBY-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.35
Rot. Bonds1

About 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole

1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole (PubChem CID 123774935) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole
PubChem CID123774935
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole
SMILESCN1CC=CC1OC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h2-3,5H,4H2,1H3
InChIKeyDISJHTUFOCEFBY-UHFFFAOYSA-N
XLogP1.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole (CID 123774935) is 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole is CN1CC=CC1OC(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole?
The InChIKey is DISJHTUFOCEFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h2-3,5H,4H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole?
1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole has a molecular weight of 167.13 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole is sourced from PubChem (CID 123774935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).