2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

C8H13ClF3N — CID 102784739

IUPAC2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC1CCN(CC(F)(F)F)C1CCl
InChIInChI=1S/C8H13ClF3N/c1-6-2-3-13(7(6)4-9)5-8(10,11)12/h6-7H,2-5H2,1H3
InChIKeyJATJMKONWDEYNH-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.50
Rot. Bonds2

About 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine

2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 102784739) has the molecular formula C8H13ClF3N and a molecular weight of 215.65 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID102784739
Molecular FormulaC8H13ClF3N
Molecular Weight215.65 g/mol
Exact Mass215.07
IUPAC Name2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC1CCN(CC(F)(F)F)C1CCl
InChIInChI=1S/C8H13ClF3N/c1-6-2-3-13(7(6)4-9)5-8(10,11)12/h6-7H,2-5H2,1H3
InChIKeyJATJMKONWDEYNH-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.50
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-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 102784739) is 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is CC1CCN(CC(F)(F)F)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is JATJMKONWDEYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3N/c1-6-2-3-13(7(6)4-9)5-8(10,11)12/h6-7H,2-5H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine?
2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 215.65 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 102784739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).