1-(1,1-difluoroethyl)pyrrolidine

C6H11F2N — CID 91072011

IUPAC1-(1,1-difluoroethyl)pyrrolidine
SMILESCC(F)(F)N1CCCC1
InChIInChI=1S/C6H11F2N/c1-6(7,8)9-4-2-3-5-9/h2-5H2,1H3
InChIKeyDBWICJPMYMKLGU-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.69
Rot. Bonds1

About 1-(1,1-difluoroethyl)pyrrolidine

1-(1,1-difluoroethyl)pyrrolidine (PubChem CID 91072011) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)pyrrolidine
PubChem CID91072011
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1-(1,1-difluoroethyl)pyrrolidine
SMILESCC(F)(F)N1CCCC1
InChIInChI=1S/C6H11F2N/c1-6(7,8)9-4-2-3-5-9/h2-5H2,1H3
InChIKeyDBWICJPMYMKLGU-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(1,1-difluoroethyl)pyrrolidine 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-(1,1-difluoroethyl)pyrrolidine?
The IUPAC name of 1-(1,1-difluoroethyl)pyrrolidine (CID 91072011) is 1-(1,1-difluoroethyl)pyrrolidine.
What is the SMILES notation for 1-(1,1-difluoroethyl)pyrrolidine?
The canonical SMILES for 1-(1,1-difluoroethyl)pyrrolidine is CC(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1-difluoroethyl)pyrrolidine?
The InChIKey is DBWICJPMYMKLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-6(7,8)9-4-2-3-5-9/h2-5H2,1H3.
What are the key properties of 1-(1,1-difluoroethyl)pyrrolidine?
1-(1,1-difluoroethyl)pyrrolidine has a molecular weight of 135.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)pyrrolidine is sourced from PubChem (CID 91072011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).