5-(2,2,2-trifluoroethyl)furan-2-amine

C6H6F3NO — CID 98769910

IUPAC5-(2,2,2-trifluoroethyl)furan-2-amine
SMILESNc1ccc(CC(F)(F)F)o1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)3-4-1-2-5(10)11-4/h1-2H,3,10H2
InChIKeyBCLMEXXNMGAENT-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.97
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)furan-2-amine

5-(2,2,2-trifluoroethyl)furan-2-amine (PubChem CID 98769910) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)furan-2-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)furan-2-amine
PubChem CID98769910
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name5-(2,2,2-trifluoroethyl)furan-2-amine
SMILESNc1ccc(CC(F)(F)F)o1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)3-4-1-2-5(10)11-4/h1-2H,3,10H2
InChIKeyBCLMEXXNMGAENT-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,2,2-trifluoroethyl)furan-2-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 5-(2,2,2-trifluoroethyl)furan-2-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)furan-2-amine (CID 98769910) is 5-(2,2,2-trifluoroethyl)furan-2-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)furan-2-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)furan-2-amine is Nc1ccc(CC(F)(F)F)o1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)furan-2-amine?
The InChIKey is BCLMEXXNMGAENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)3-4-1-2-5(10)11-4/h1-2H,3,10H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)furan-2-amine?
5-(2,2,2-trifluoroethyl)furan-2-amine has a molecular weight of 165.11 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)furan-2-amine is sourced from PubChem (CID 98769910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).