N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine

C8H14F3N5O — CID 63827780

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C8H14F3N5O/c1-2-12-5-7-13-14-15-16(7)3-4-17-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyTZVJAIUTCYVOLW-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.36
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 63827780) has the molecular formula C8H14F3N5O and a molecular weight of 253.23 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID63827780
Molecular FormulaC8H14F3N5O
Molecular Weight253.23 g/mol
Exact Mass253.12
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C8H14F3N5O/c1-2-12-5-7-13-14-15-16(7)3-4-17-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyTZVJAIUTCYVOLW-UHFFFAOYSA-N
XLogP0.36
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]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 N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine (CID 63827780) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1CCOCC(F)(F)F.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is TZVJAIUTCYVOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5O/c1-2-12-5-7-13-14-15-16(7)3-4-17-6-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 253.23 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).