3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine

C17H15Cl2F2N — CID 25100717

IUPAC3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)Cc1cccc(/C=C/c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2F2N/c18-15-5-2-6-16(19)14(15)8-7-12-3-1-4-13(9-12)10-17(20,21)11-22/h1-9H,10-11,22H2/b8-7+
InChIKeyCICOWLFEHIFHJR-BQYQJAHWSA-N
MW342.22 g/mol
LogP5.30
Rot. Bonds5

About 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine

3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine (PubChem CID 25100717) has the molecular formula C17H15Cl2F2N and a molecular weight of 342.22 g/mol. Its IUPAC name is 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine
PubChem CID25100717
Molecular FormulaC17H15Cl2F2N
Molecular Weight342.22 g/mol
Exact Mass341.05
IUPAC Name3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)Cc1cccc(/C=C/c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2F2N/c18-15-5-2-6-16(19)14(15)8-7-12-3-1-4-13(9-12)10-17(20,21)11-22/h1-9H,10-11,22H2/b8-7+
InChIKeyCICOWLFEHIFHJR-BQYQJAHWSA-N
XLogP5.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.22
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-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 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine?
The IUPAC name of 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine (CID 25100717) is 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine is NCC(F)(F)Cc1cccc(/C=C/c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine?
The InChIKey is CICOWLFEHIFHJR-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15Cl2F2N/c18-15-5-2-6-16(19)14(15)8-7-12-3-1-4-13(9-12)10-17(20,21)11-22/h1-9H,10-11,22H2/b8-7+.
What are the key properties of 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine?
3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine has a molecular weight of 342.22 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenyl]-2,2-difluoropropan-1-amine is sourced from PubChem (CID 25100717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).