1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine

C7H13FN2 — CID 146187276

IUPAC1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine
SMILESC/N=C(\C)N1CC[C@@H](F)C1
InChIInChI=1S/C7H13FN2/c1-6(9-2)10-4-3-7(8)5-10/h7H,3-5H2,1-2H3/b9-6+/t7-/m1/s1
InChIKeyPJGRDMJHFBTCBI-TUOMEMKJSA-N
MW144.19 g/mol
LogP1.08
Rot. Bonds

About 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine

1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine (PubChem CID 146187276) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine.

Molecular Properties

Compound Name1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine
PubChem CID146187276
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine
SMILESC/N=C(\C)N1CC[C@@H](F)C1
InChIInChI=1S/C7H13FN2/c1-6(9-2)10-4-3-7(8)5-10/h7H,3-5H2,1-2H3/b9-6+/t7-/m1/s1
InChIKeyPJGRDMJHFBTCBI-TUOMEMKJSA-N
XLogP1.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine 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-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine?
The IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine (CID 146187276) is 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine.
What is the SMILES notation for 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine?
The canonical SMILES for 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine is C/N=C(\C)N1CC[C@@H](F)C1.
What is the InChIKey of 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine?
The InChIKey is PJGRDMJHFBTCBI-TUOMEMKJSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6(9-2)10-4-3-7(8)5-10/h7H,3-5H2,1-2H3/b9-6+/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine?
1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine has a molecular weight of 144.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine is sourced from PubChem (CID 146187276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).