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

C8H12F3N — CID 165136249

IUPAC(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C[C@H]1CCN(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/t7-/m0/s1
InChIKeyQOTWTXVSEDUJJO-ZETCQYMHSA-N
MW179.18 g/mol
LogP2.06
Rot. Bonds2

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

(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 165136249) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID165136249
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C[C@H]1CCN(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/t7-/m0/s1
InChIKeyQOTWTXVSEDUJJO-ZETCQYMHSA-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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Related Compounds

(3R,4R)-1-chloro-3-ethenyl-4-fluoropyrrolidine
CID 117609306
1-Chloro-3-ethenyl-4-fluoropyrrolidine
CID 123502467
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine
CID 124118183
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118188
1-(1,1,2,3,3-Pentafluoropent-4-enyl)pyrrolidine
CID 134384144
1-(1,2-Difluoro-2-methylbut-3-enyl)pyrrolidine
CID 134531037
(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine
CID 144716687
3-Ethenyl-3-fluoro-1-methylpyrrolidine
CID 152894318
1-(4,4-Difluorohexa-1,5-dien-3-yl)pyrrolidine
CID 155372748
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine;hydrofluoride
CID 157358112
4-Ethenyl-3,3-difluoro-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 170602636
3,3,4-trifluoro-1-methyl-4-[(E)-prop-1-enyl]pyrrolidine
CID 172628370

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 165136249) is (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine is C=C[C@H]1CCN(CC(F)(F)F)C1.
What is the InChIKey of (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is QOTWTXVSEDUJJO-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
(3R)-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 (3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 165136249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).