[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine

C6H10F3N5O — CID 63827948

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
SMILESNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C6H10F3N5O/c7-6(8,9)4-15-2-1-14-5(3-10)11-12-13-14/h1-4,10H2
InChIKeyZQNJMPFYPKKLFK-UHFFFAOYSA-N
MW225.17 g/mol
LogP-0.29
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine

[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine (PubChem CID 63827948) has the molecular formula C6H10F3N5O and a molecular weight of 225.17 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
PubChem CID63827948
Molecular FormulaC6H10F3N5O
Molecular Weight225.17 g/mol
Exact Mass225.08
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
SMILESNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C6H10F3N5O/c7-6(8,9)4-15-2-1-14-5(3-10)11-12-13-14/h1-4,10H2
InChIKeyZQNJMPFYPKKLFK-UHFFFAOYSA-N
XLogP-0.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine (CID 63827948) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine is NCc1nnnn1CCOCC(F)(F)F.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
The InChIKey is ZQNJMPFYPKKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5O/c7-6(8,9)4-15-2-1-14-5(3-10)11-12-13-14/h1-4,10H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine has a molecular weight of 225.17 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 63827948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).