1-(trifluoromethyl)-2,5-dihydropyrrole

C5H6F3N — CID 141473800

IUPAC1-(trifluoromethyl)-2,5-dihydropyrrole
SMILESFC(F)(F)N1CC=CC1
InChIInChI=1S/C5H6F3N/c6-5(7,8)9-3-1-2-4-9/h1-2H,3-4H2
InChIKeyRIYVPRLCZRVXAM-UHFFFAOYSA-N
MW137.10 g/mol
LogP1.38
Rot. Bonds

About 1-(trifluoromethyl)-2,5-dihydropyrrole

1-(trifluoromethyl)-2,5-dihydropyrrole (PubChem CID 141473800) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,5-dihydropyrrole
PubChem CID141473800
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC Name1-(trifluoromethyl)-2,5-dihydropyrrole
SMILESFC(F)(F)N1CC=CC1
InChIInChI=1S/C5H6F3N/c6-5(7,8)9-3-1-2-4-9/h1-2H,3-4H2
InChIKeyRIYVPRLCZRVXAM-UHFFFAOYSA-N
XLogP1.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(trifluoromethyl)-2,5-dihydropyrrole (CID 141473800) is 1-(trifluoromethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(trifluoromethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(trifluoromethyl)-2,5-dihydropyrrole is FC(F)(F)N1CC=CC1.
What is the InChIKey of 1-(trifluoromethyl)-2,5-dihydropyrrole?
The InChIKey is RIYVPRLCZRVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N/c6-5(7,8)9-3-1-2-4-9/h1-2H,3-4H2.
What are the key properties of 1-(trifluoromethyl)-2,5-dihydropyrrole?
1-(trifluoromethyl)-2,5-dihydropyrrole has a molecular weight of 137.10 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 141473800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).