1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine

C10H17BrF3N — CID 83220794

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1CC(Br)C(F)(F)F
InChIInChI=1S/C10H17BrF3N/c1-3-8-5-4-7(2)15(8)6-9(11)10(12,13)14/h7-9H,3-6H2,1-2H3
InChIKeyINSCKAMIWNLBQG-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.58
Rot. Bonds3

About 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine

1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine (PubChem CID 83220794) has the molecular formula C10H17BrF3N and a molecular weight of 288.15 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine
PubChem CID83220794
Molecular FormulaC10H17BrF3N
Molecular Weight288.15 g/mol
Exact Mass287.05
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1CC(Br)C(F)(F)F
InChIInChI=1S/C10H17BrF3N/c1-3-8-5-4-7(2)15(8)6-9(11)10(12,13)14/h7-9H,3-6H2,1-2H3
InChIKeyINSCKAMIWNLBQG-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine (CID 83220794) is 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine is CCC1CCC(C)N1CC(Br)C(F)(F)F.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine?
The InChIKey is INSCKAMIWNLBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3N/c1-3-8-5-4-7(2)15(8)6-9(11)10(12,13)14/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine?
1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine has a molecular weight of 288.15 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropyl)-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 83220794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).