2,2,2-trifluoro-1-(furan-2-yl)ethanamine

C6H6F3NO — CID 44721394

IUPAC2,2,2-trifluoro-1-(furan-2-yl)ethanamine
SMILESNC(c1ccco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2
InChIKeyLCIXZGVVXOBIGC-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.84
Rot. Bonds1

About 2,2,2-trifluoro-1-(furan-2-yl)ethanamine

2,2,2-trifluoro-1-(furan-2-yl)ethanamine (PubChem CID 44721394) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(furan-2-yl)ethanamine
PubChem CID44721394
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name2,2,2-trifluoro-1-(furan-2-yl)ethanamine
SMILESNC(c1ccco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2
InChIKeyLCIXZGVVXOBIGC-UHFFFAOYSA-N
XLogP1.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(furan-2-yl)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 2,2,2-trifluoro-1-(furan-2-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(furan-2-yl)ethanamine (CID 44721394) is 2,2,2-trifluoro-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(furan-2-yl)ethanamine is NC(c1ccco1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(furan-2-yl)ethanamine?
The InChIKey is LCIXZGVVXOBIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2.
What are the key properties of 2,2,2-trifluoro-1-(furan-2-yl)ethanamine?
2,2,2-trifluoro-1-(furan-2-yl)ethanamine has a molecular weight of 165.11 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 44721394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).