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

C6H9BrF3N — CID 97168592

IUPAC(2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)N1CCC[C@@H]1CBr
InChIInChI=1S/C6H9BrF3N/c7-4-5-2-1-3-11(5)6(8,9)10/h5H,1-4H2/t5-/m1/s1
InChIKeyJCPOJJVFFDTJCV-RXMQYKEDSA-N
MW232.04 g/mol
LogP2.37
Rot. Bonds1

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

(2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine (PubChem CID 97168592) has the molecular formula C6H9BrF3N and a molecular weight of 232.04 g/mol. Its IUPAC name is (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine
PubChem CID97168592
Molecular FormulaC6H9BrF3N
Molecular Weight232.04 g/mol
Exact Mass230.99
IUPAC Name(2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)N1CCC[C@@H]1CBr
InChIInChI=1S/C6H9BrF3N/c7-4-5-2-1-3-11(5)6(8,9)10/h5H,1-4H2/t5-/m1/s1
InChIKeyJCPOJJVFFDTJCV-RXMQYKEDSA-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 (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine (CID 97168592) is (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine is FC(F)(F)N1CCC[C@@H]1CBr.
What is the InChIKey of (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
The InChIKey is JCPOJJVFFDTJCV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9BrF3N/c7-4-5-2-1-3-11(5)6(8,9)10/h5H,1-4H2/t5-/m1/s1.
What are the key properties of (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine?
(2R)-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 (2R)-2-(bromomethyl)-1-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 97168592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).