N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

C10H17F3N4O — CID 62444844

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C10H17F3N4O/c1-8(2)14-5-9-6-17(16-15-9)3-4-18-7-10(11,12)13/h6,8,14H,3-5,7H2,1-2H3
InChIKeyUQDXDUOGIHRTAG-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.36
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62444844) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62444844
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C10H17F3N4O/c1-8(2)14-5-9-6-17(16-15-9)3-4-18-7-10(11,12)13/h6,8,14H,3-5,7H2,1-2H3
InChIKeyUQDXDUOGIHRTAG-UHFFFAOYSA-N
XLogP1.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62444844) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCOCC(F)(F)F)nn1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is UQDXDUOGIHRTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-8(2)14-5-9-6-17(16-15-9)3-4-18-7-10(11,12)13/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 266.27 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).