3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine

C9H14F3N — CID 177038908

IUPAC3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C(C)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-7(2)8-3-4-13(5-8)6-9(10,11)12/h8H,1,3-6H2,2H3
InChIKeyNLPVTVJWBARFQL-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.45
Rot. Bonds2

About 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine

3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 177038908) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID177038908
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C(C)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-7(2)8-3-4-13(5-8)6-9(10,11)12/h8H,1,3-6H2,2H3
InChIKeyNLPVTVJWBARFQL-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 177038908) is 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine is C=C(C)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is NLPVTVJWBARFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7(2)8-3-4-13(5-8)6-9(10,11)12/h8H,1,3-6H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine?
3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 193.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 177038908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).