2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine

C8H14F2N2 — CID 154985806

IUPAC2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine
SMILESC=C(CC)C1CC(F)(F)CN1N
InChIInChI=1S/C8H14F2N2/c1-3-6(2)7-4-8(9,10)5-12(7)11/h7H,2-5,11H2,1H3
InChIKeyHGLAYYSVPJTBDM-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.54
Rot. Bonds2

About 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine

2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine (PubChem CID 154985806) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine.

Molecular Properties

Compound Name2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine
PubChem CID154985806
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine
SMILESC=C(CC)C1CC(F)(F)CN1N
InChIInChI=1S/C8H14F2N2/c1-3-6(2)7-4-8(9,10)5-12(7)11/h7H,2-5,11H2,1H3
InChIKeyHGLAYYSVPJTBDM-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-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 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine?
The IUPAC name of 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine (CID 154985806) is 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine.
What is the SMILES notation for 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine?
The canonical SMILES for 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine is C=C(CC)C1CC(F)(F)CN1N.
What is the InChIKey of 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine?
The InChIKey is HGLAYYSVPJTBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-3-6(2)7-4-8(9,10)5-12(7)11/h7H,2-5,11H2,1H3.
What are the key properties of 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine?
2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine has a molecular weight of 176.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-4,4-difluoropyrrolidin-1-amine is sourced from PubChem (CID 154985806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).