2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine

C11H12ClF3N2 — CID 66329106

IUPAC2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(N2CCCC2CCl)c1
InChIInChI=1S/C11H12ClF3N2/c12-7-9-2-1-5-17(9)10-6-8(3-4-16-10)11(13,14)15/h3-4,6,9H,1-2,5,7H2
InChIKeySZDBBQHRTHZAIG-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.31
Rot. Bonds2

About 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine

2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine (PubChem CID 66329106) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
PubChem CID66329106
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(N2CCCC2CCl)c1
InChIInChI=1S/C11H12ClF3N2/c12-7-9-2-1-5-17(9)10-6-8(3-4-16-10)11(13,14)15/h3-4,6,9H,1-2,5,7H2
InChIKeySZDBBQHRTHZAIG-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine (CID 66329106) is 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(N2CCCC2CCl)c1.
What is the InChIKey of 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is SZDBBQHRTHZAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-7-9-2-1-5-17(9)10-6-8(3-4-16-10)11(13,14)15/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine has a molecular weight of 264.68 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 66329106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).