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

C9H17ClFN — CID 102784704

IUPAC2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
SMILESCC1CCN(CCCF)C1CCl
InChIInChI=1S/C9H17ClFN/c1-8-3-6-12(5-2-4-11)9(8)7-10/h8-9H,2-7H2,1H3
InChIKeyQIZQHBDYJXQYHZ-UHFFFAOYSA-N
MW193.69 g/mol
LogP2.30
Rot. Bonds4

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

2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine (PubChem CID 102784704) has the molecular formula C9H17ClFN and a molecular weight of 193.69 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
PubChem CID102784704
Molecular FormulaC9H17ClFN
Molecular Weight193.69 g/mol
Exact Mass193.10
IUPAC Name2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
SMILESCC1CCN(CCCF)C1CCl
InChIInChI=1S/C9H17ClFN/c1-8-3-6-12(5-2-4-11)9(8)7-10/h8-9H,2-7H2,1H3
InChIKeyQIZQHBDYJXQYHZ-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.69
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine (CID 102784704) is 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine is CC1CCN(CCCF)C1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The InChIKey is QIZQHBDYJXQYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClFN/c1-8-3-6-12(5-2-4-11)9(8)7-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine has a molecular weight of 193.69 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine is sourced from PubChem (CID 102784704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).