2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine

C10H17ClF3N — CID 102784943

IUPAC2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine
SMILESCC1CCN(CCCC(F)(F)F)C1CCl
InChIInChI=1S/C10H17ClF3N/c1-8-3-6-15(9(8)7-11)5-2-4-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyFXIPEHYCSUKCFV-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.28
Rot. Bonds4

About 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine

2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine (PubChem CID 102784943) has the molecular formula C10H17ClF3N and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine
PubChem CID102784943
Molecular FormulaC10H17ClF3N
Molecular Weight243.70 g/mol
Exact Mass243.10
IUPAC Name2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine
SMILESCC1CCN(CCCC(F)(F)F)C1CCl
InChIInChI=1S/C10H17ClF3N/c1-8-3-6-15(9(8)7-11)5-2-4-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyFXIPEHYCSUKCFV-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.28
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-(4,4,4-trifluorobutyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine (CID 102784943) is 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine is CC1CCN(CCCC(F)(F)F)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine?
The InChIKey is FXIPEHYCSUKCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3N/c1-8-3-6-15(9(8)7-11)5-2-4-10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine?
2-(chloromethyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine has a molecular weight of 243.70 g/mol, XLogP of 3.28, 4 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-(4,4,4-trifluorobutyl)pyrrolidine is sourced from PubChem (CID 102784943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).