2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine

C9H14F3N — CID 130564825

IUPAC2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
SMILESC=C(C(F)(F)F)C1(CC)CCCN1
InChIInChI=1S/C9H14F3N/c1-3-8(5-4-6-13-8)7(2)9(10,11)12/h13H,2-6H2,1H3
InChIKeyLOGJVZRYPMLRHT-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.64
Rot. Bonds2

About 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine

2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine (PubChem CID 130564825) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
PubChem CID130564825
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
SMILESC=C(C(F)(F)F)C1(CC)CCCN1
InChIInChI=1S/C9H14F3N/c1-3-8(5-4-6-13-8)7(2)9(10,11)12/h13H,2-6H2,1H3
InChIKeyLOGJVZRYPMLRHT-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 162414798
3-Methylidene-4-(2,2,3,4,4-pentafluorobut-3-enyl)pyrrolidine
CID 68813031
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
7,7-Difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 146640283
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850
(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
CID 176954846
(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine
CID 177213219
2-Methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
CID 130564824
2-[2-Fluoro-3-(trifluoromethyl)but-3-en-2-yl]pyrrolidine
CID 130787792

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The IUPAC name of 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine (CID 130564825) is 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The canonical SMILES for 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine is C=C(C(F)(F)F)C1(CC)CCCN1.
What is the InChIKey of 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
The InChIKey is LOGJVZRYPMLRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-8(5-4-6-13-8)7(2)9(10,11)12/h13H,2-6H2,1H3.
What are the key properties of 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine?
2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine has a molecular weight of 193.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 130564825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).