2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine

C8H14F2N4O — CID 103150845

IUPAC2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(CCOCC(F)F)n[nH]1
InChIInChI=1S/C8H14F2N4O/c9-6(10)5-15-4-2-8-12-7(1-3-11)13-14-8/h6H,1-5,11H2,(H,12,13,14)
InChIKeyYNFURNZWVCGMEA-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.13
Rot. Bonds7

About 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 103150845) has the molecular formula C8H14F2N4O and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID103150845
Molecular FormulaC8H14F2N4O
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine
SMILESNCCc1nc(CCOCC(F)F)n[nH]1
InChIInChI=1S/C8H14F2N4O/c9-6(10)5-15-4-2-8-12-7(1-3-11)13-14-8/h6H,1-5,11H2,(H,12,13,14)
InChIKeyYNFURNZWVCGMEA-UHFFFAOYSA-N
XLogP0.13
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-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-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine (CID 103150845) is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine is NCCc1nc(CCOCC(F)F)n[nH]1.
What is the InChIKey of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is YNFURNZWVCGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O/c9-6(10)5-15-4-2-8-12-7(1-3-11)13-14-8/h6H,1-5,11H2,(H,12,13,14).
What are the key properties of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 220.22 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 103150845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).