1,3-difluoroprop-2-en-1-amine

C3H5F2N — CID 173054301

IUPAC1,3-difluoroprop-2-en-1-amine
SMILESNC(F)C=CF
InChIInChI=1S/C3H5F2N/c4-2-1-3(5)6/h1-3H,6H2
InChIKeyUFGCNLLHSSOJQC-UHFFFAOYSA-N
MW93.08 g/mol
LogP0.72
Rot. Bonds1

About 1,3-difluoroprop-2-en-1-amine

1,3-difluoroprop-2-en-1-amine (PubChem CID 173054301) has the molecular formula C3H5F2N and a molecular weight of 93.08 g/mol. Its IUPAC name is 1,3-difluoroprop-2-en-1-amine.

Molecular Properties

Compound Name1,3-difluoroprop-2-en-1-amine
PubChem CID173054301
Molecular FormulaC3H5F2N
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC Name1,3-difluoroprop-2-en-1-amine
SMILESNC(F)C=CF
InChIInChI=1S/C3H5F2N/c4-2-1-3(5)6/h1-3H,6H2
InChIKeyUFGCNLLHSSOJQC-UHFFFAOYSA-N
XLogP0.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-difluoroprop-2-en-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 1,3-difluoroprop-2-en-1-amine?
The IUPAC name of 1,3-difluoroprop-2-en-1-amine (CID 173054301) is 1,3-difluoroprop-2-en-1-amine.
What is the SMILES notation for 1,3-difluoroprop-2-en-1-amine?
The canonical SMILES for 1,3-difluoroprop-2-en-1-amine is NC(F)C=CF.
What is the InChIKey of 1,3-difluoroprop-2-en-1-amine?
The InChIKey is UFGCNLLHSSOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N/c4-2-1-3(5)6/h1-3H,6H2.
What are the key properties of 1,3-difluoroprop-2-en-1-amine?
1,3-difluoroprop-2-en-1-amine has a molecular weight of 93.08 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoroprop-2-en-1-amine is sourced from PubChem (CID 173054301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).