N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine

C9H17FN2O — CID 105443211

IUPACN-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine
SMILESFC1(CNC2CCOC2)CCNC1
InChIInChI=1S/C9H17FN2O/c10-9(2-3-11-6-9)7-12-8-1-4-13-5-8/h8,11-12H,1-7H2
InChIKeyWJNXCVZLNVACLI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.07
Rot. Bonds3

About N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine

N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine (PubChem CID 105443211) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine
PubChem CID105443211
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine
SMILESFC1(CNC2CCOC2)CCNC1
InChIInChI=1S/C9H17FN2O/c10-9(2-3-11-6-9)7-12-8-1-4-13-5-8/h8,11-12H,1-7H2
InChIKeyWJNXCVZLNVACLI-UHFFFAOYSA-N
XLogP0.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine 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 N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine (CID 105443211) is N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine is FC1(CNC2CCOC2)CCNC1.
What is the InChIKey of N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine?
The InChIKey is WJNXCVZLNVACLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-9(2-3-11-6-9)7-12-8-1-4-13-5-8/h8,11-12H,1-7H2.
What are the key properties of N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine?
N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine has a molecular weight of 188.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 105443211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).