2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine

C10H11F4N — CID 84724736

IUPAC2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine
SMILESNCCc1ccc(C(F)(F)C(F)F)cc1
InChIInChI=1S/C10H11F4N/c11-9(12)10(13,14)8-3-1-7(2-4-8)5-6-15/h1-4,9H,5-6,15H2
InChIKeyXZYNVKQTKQMWPL-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.54
Rot. Bonds4

About 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine

2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine (PubChem CID 84724736) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine
PubChem CID84724736
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine
SMILESNCCc1ccc(C(F)(F)C(F)F)cc1
InChIInChI=1S/C10H11F4N/c11-9(12)10(13,14)8-3-1-7(2-4-8)5-6-15/h1-4,9H,5-6,15H2
InChIKeyXZYNVKQTKQMWPL-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine 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-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine (CID 84724736) is 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine is NCCc1ccc(C(F)(F)C(F)F)cc1.
What is the InChIKey of 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine?
The InChIKey is XZYNVKQTKQMWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c11-9(12)10(13,14)8-3-1-7(2-4-8)5-6-15/h1-4,9H,5-6,15H2.
What are the key properties of 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine?
2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine has a molecular weight of 221.20 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine is sourced from PubChem (CID 84724736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).