4-(fluoromethyl)-1-methyl-2-propylpyrrolidine

C9H18FN — CID 178101900

IUPAC4-(fluoromethyl)-1-methyl-2-propylpyrrolidine
SMILESCCCC1CC(CF)CN1C
InChIInChI=1S/C9H18FN/c1-3-4-9-5-8(6-10)7-11(9)2/h8-9H,3-7H2,1-2H3
InChIKeyMRWHJHHSACVNMF-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine

4-(fluoromethyl)-1-methyl-2-propylpyrrolidine (PubChem CID 178101900) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methyl-2-propylpyrrolidine
PubChem CID178101900
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name4-(fluoromethyl)-1-methyl-2-propylpyrrolidine
SMILESCCCC1CC(CF)CN1C
InChIInChI=1S/C9H18FN/c1-3-4-9-5-8(6-10)7-11(9)2/h8-9H,3-7H2,1-2H3
InChIKeyMRWHJHHSACVNMF-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 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine 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 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine?
The IUPAC name of 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine (CID 178101900) is 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine.
What is the SMILES notation for 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine?
The canonical SMILES for 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine is CCCC1CC(CF)CN1C.
What is the InChIKey of 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine?
The InChIKey is MRWHJHHSACVNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-4-9-5-8(6-10)7-11(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine?
4-(fluoromethyl)-1-methyl-2-propylpyrrolidine 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 4-(fluoromethyl)-1-methyl-2-propylpyrrolidine is sourced from PubChem (CID 178101900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).