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

C9H16F3N5O2 — CID 63827602

IUPAC2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3N5O2/c1-18-4-2-13-6-8-14-15-16-17(8)3-5-19-7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyIUSDEQNDCBOUKF-UHFFFAOYSA-N
MW283.25 g/mol
LogP-0.01
Rot. Bonds9

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

2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 63827602) has the molecular formula C9H16F3N5O2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID63827602
Molecular FormulaC9H16F3N5O2
Molecular Weight283.25 g/mol
Exact Mass283.13
IUPAC Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3N5O2/c1-18-4-2-13-6-8-14-15-16-17(8)3-5-19-7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyIUSDEQNDCBOUKF-UHFFFAOYSA-N
XLogP-0.01
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine (CID 63827602) is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1CCOCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is IUSDEQNDCBOUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5O2/c1-18-4-2-13-6-8-14-15-16-17(8)3-5-19-7-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 283.25 g/mol, XLogP of -0.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63827602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).