3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine

C8H12F3N — CID 162620548

IUPAC3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=CC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-2-7-3-4-12(5-7)6-8(9,10)11/h2,7H,1,3-6H2
InChIKeyQOTWTXVSEDUJJO-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.06
Rot. Bonds2

About 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine

3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 162620548) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID162620548
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=CC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-2-7-3-4-12(5-7)6-8(9,10)11/h2,7H,1,3-6H2
InChIKeyQOTWTXVSEDUJJO-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 162620548) is 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine is C=CC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is QOTWTXVSEDUJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-2-7-3-4-12(5-7)6-8(9,10)11/h2,7H,1,3-6H2.
What are the key properties of 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 179.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 162620548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).