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

C9H15ClF3N — CID 102784795

IUPAC2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC1CCN(CCC(F)(F)F)C1CCl
InChIInChI=1S/C9H15ClF3N/c1-7-2-4-14(8(7)6-10)5-3-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyFLMRWNDPOYZTCP-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.89
Rot. Bonds3

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

2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 102784795) has the molecular formula C9H15ClF3N and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID102784795
Molecular FormulaC9H15ClF3N
Molecular Weight229.67 g/mol
Exact Mass229.08
IUPAC Name2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC1CCN(CCC(F)(F)F)C1CCl
InChIInChI=1S/C9H15ClF3N/c1-7-2-4-14(8(7)6-10)5-3-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyFLMRWNDPOYZTCP-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.89
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-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine (CID 102784795) is 2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine is CC1CCN(CCC(F)(F)F)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is FLMRWNDPOYZTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3N/c1-7-2-4-14(8(7)6-10)5-3-9(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
2-(chloromethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 229.67 g/mol, XLogP of 2.89, 3 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-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 102784795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).