3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

C11H18F3N — CID 177031959

IUPAC3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=CCCC1(C)CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H18F3N/c1-3-4-5-10(2)6-7-15(8-10)9-11(12,13)14/h3H,1,4-9H2,2H3
InChIKeyOGNYZXHUWVUPTL-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.23
Rot. Bonds4

About 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 177031959) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID177031959
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=CCCC1(C)CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H18F3N/c1-3-4-5-10(2)6-7-15(8-10)9-11(12,13)14/h3H,1,4-9H2,2H3
InChIKeyOGNYZXHUWVUPTL-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.23
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-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 177031959) is 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is C=CCCC1(C)CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is OGNYZXHUWVUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-3-4-5-10(2)6-7-15(8-10)9-11(12,13)14/h3H,1,4-9H2,2H3.
What are the key properties of 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 177031959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).