3-(difluoromethyl)-1-prop-2-enylpyrrolidine

C8H13F2N — CID 131036211

IUPAC3-(difluoromethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC(C(F)F)C1
InChIInChI=1S/C8H13F2N/c1-2-4-11-5-3-7(6-11)8(9)10/h2,7-8H,1,3-6H2
InChIKeyYDFBOKKJBXVXAU-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.76
Rot. Bonds3

About 3-(difluoromethyl)-1-prop-2-enylpyrrolidine

3-(difluoromethyl)-1-prop-2-enylpyrrolidine (PubChem CID 131036211) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-prop-2-enylpyrrolidine
PubChem CID131036211
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3-(difluoromethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC(C(F)F)C1
InChIInChI=1S/C8H13F2N/c1-2-4-11-5-3-7(6-11)8(9)10/h2,7-8H,1,3-6H2
InChIKeyYDFBOKKJBXVXAU-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-1-prop-2-enylpyrrolidine 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 3-(difluoromethyl)-1-prop-2-enylpyrrolidine?
The IUPAC name of 3-(difluoromethyl)-1-prop-2-enylpyrrolidine (CID 131036211) is 3-(difluoromethyl)-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 3-(difluoromethyl)-1-prop-2-enylpyrrolidine?
The canonical SMILES for 3-(difluoromethyl)-1-prop-2-enylpyrrolidine is C=CCN1CCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-prop-2-enylpyrrolidine?
The InChIKey is YDFBOKKJBXVXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-2-4-11-5-3-7(6-11)8(9)10/h2,7-8H,1,3-6H2.
What are the key properties of 3-(difluoromethyl)-1-prop-2-enylpyrrolidine?
3-(difluoromethyl)-1-prop-2-enylpyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 131036211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).