4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide

C11H16F2N2O — CID 120607725

IUPAC4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC(F)(F)CN1
InChIInChI=1S/C11H16F2N2O/c1-3-5-15(6-4-2)10(16)9-7-11(12,13)8-14-9/h3-4,9,14H,1-2,5-8H2
InChIKeyPQDUIDGILYFFSG-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.18
Rot. Bonds5

About 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide

4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 120607725) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
PubChem CID120607725
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC(F)(F)CN1
InChIInChI=1S/C11H16F2N2O/c1-3-5-15(6-4-2)10(16)9-7-11(12,13)8-14-9/h3-4,9,14H,1-2,5-8H2
InChIKeyPQDUIDGILYFFSG-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide 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 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide (CID 120607725) is 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide is C=CCN(CC=C)C(=O)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is PQDUIDGILYFFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-5-15(6-4-2)10(16)9-7-11(12,13)8-14-9/h3-4,9,14H,1-2,5-8H2.
What are the key properties of 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 230.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120607725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).