2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine

C8H15ClFN — CID 102785176

IUPAC2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
SMILESCC1CCN(CCF)C1CCl
InChIInChI=1S/C8H15ClFN/c1-7-2-4-11(5-3-10)8(7)6-9/h7-8H,2-6H2,1H3
InChIKeyFGFRUEDEJODADS-UHFFFAOYSA-N
MW179.67 g/mol
LogP1.91
Rot. Bonds3

About 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine

2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine (PubChem CID 102785176) has the molecular formula C8H15ClFN and a molecular weight of 179.67 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
PubChem CID102785176
Molecular FormulaC8H15ClFN
Molecular Weight179.67 g/mol
Exact Mass179.09
IUPAC Name2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
SMILESCC1CCN(CCF)C1CCl
InChIInChI=1S/C8H15ClFN/c1-7-2-4-11(5-3-10)8(7)6-9/h7-8H,2-6H2,1H3
InChIKeyFGFRUEDEJODADS-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.67
LogP ≤ 51.91
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)-1-(2-fluoroethyl)-3-methylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine (CID 102785176) is 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine is CC1CCN(CCF)C1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine?
The InChIKey is FGFRUEDEJODADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFN/c1-7-2-4-11(5-3-10)8(7)6-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine?
2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine has a molecular weight of 179.67 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine is sourced from PubChem (CID 102785176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).