2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

C7H11BrF3N — CID 80677165

IUPAC2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)(F)CN1CCCC1CBr
InChIInChI=1S/C7H11BrF3N/c8-4-6-2-1-3-12(6)5-7(9,10)11/h6H,1-5H2
InChIKeyRWMKNDSWQHFICW-UHFFFAOYSA-N
MW246.07 g/mol
LogP2.41
Rot. Bonds2

About 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 80677165) has the molecular formula C7H11BrF3N and a molecular weight of 246.07 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID80677165
Molecular FormulaC7H11BrF3N
Molecular Weight246.07 g/mol
Exact Mass245.00
IUPAC Name2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)(F)CN1CCCC1CBr
InChIInChI=1S/C7H11BrF3N/c8-4-6-2-1-3-12(6)5-7(9,10)11/h6H,1-5H2
InChIKeyRWMKNDSWQHFICW-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 52.41
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 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 80677165) is 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is FC(F)(F)CN1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is RWMKNDSWQHFICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF3N/c8-4-6-2-1-3-12(6)5-7(9,10)11/h6H,1-5H2.
What are the key properties of 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 246.07 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 80677165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).