2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine

C6H9BrF3N — CID 71648847

IUPAC2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)N1CCCC1CBr
InChIInChI=1S/C6H9BrF3N/c7-4-5-2-1-3-11(5)6(8,9)10/h5H,1-4H2
InChIKeyJCPOJJVFFDTJCV-UHFFFAOYSA-N
MW232.04 g/mol
LogP2.37
Rot. Bonds1

About 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine

2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine (PubChem CID 71648847) has the molecular formula C6H9BrF3N and a molecular weight of 232.04 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine
PubChem CID71648847
Molecular FormulaC6H9BrF3N
Molecular Weight232.04 g/mol
Exact Mass230.99
IUPAC Name2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)N1CCCC1CBr
InChIInChI=1S/C6H9BrF3N/c7-4-5-2-1-3-11(5)6(8,9)10/h5H,1-4H2
InChIKeyJCPOJJVFFDTJCV-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine (CID 71648847) is 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine is FC(F)(F)N1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
The InChIKey is JCPOJJVFFDTJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF3N/c7-4-5-2-1-3-11(5)6(8,9)10/h5H,1-4H2.
What are the key properties of 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine has a molecular weight of 232.04 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 71648847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).