1-(3-fluoropropyl)-2,3-dimethylpyrrolidine

C9H18FN — CID 127498126

IUPAC1-(3-fluoropropyl)-2,3-dimethylpyrrolidine
SMILESCC1CCN(CCCF)C1C
InChIInChI=1S/C9H18FN/c1-8-4-7-11(9(8)2)6-3-5-10/h8-9H,3-7H2,1-2H3
InChIKeyASDCRYGBTFEGQF-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine

1-(3-fluoropropyl)-2,3-dimethylpyrrolidine (PubChem CID 127498126) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,3-dimethylpyrrolidine
PubChem CID127498126
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(3-fluoropropyl)-2,3-dimethylpyrrolidine
SMILESCC1CCN(CCCF)C1C
InChIInChI=1S/C9H18FN/c1-8-4-7-11(9(8)2)6-3-5-10/h8-9H,3-7H2,1-2H3
InChIKeyASDCRYGBTFEGQF-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine 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 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine?
The IUPAC name of 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine (CID 127498126) is 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine.
What is the SMILES notation for 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine?
The canonical SMILES for 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine is CC1CCN(CCCF)C1C.
What is the InChIKey of 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine?
The InChIKey is ASDCRYGBTFEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8-4-7-11(9(8)2)6-3-5-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine?
1-(3-fluoropropyl)-2,3-dimethylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,3-dimethylpyrrolidine is sourced from PubChem (CID 127498126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).