4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole

C9H11F3N2 — CID 162138827

IUPAC4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=NCC=C1C1CCNC1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-7(2-4-14-8)6-1-3-13-5-6/h2,6,13H,1,3-5H2
InChIKeyZJQSKRQVERUVHU-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.54
Rot. Bonds1

About 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole

4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 162138827) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID162138827
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=NCC=C1C1CCNC1
InChIInChI=1S/C9H11F3N2/c10-9(11,12)8-7(2-4-14-8)6-1-3-13-5-6/h2,6,13H,1,3-5H2
InChIKeyZJQSKRQVERUVHU-UHFFFAOYSA-N
XLogP1.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-pyrrolidin-3-yl-2H-pyrrole
CID 157576932
5-methyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 158880750

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole (CID 162138827) is 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole is FC(F)(F)C1=NCC=C1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is ZJQSKRQVERUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)8-7(2-4-14-8)6-1-3-13-5-6/h2,6,13H,1,3-5H2.
What are the key properties of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole?
4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 204.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 162138827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).