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

C7H12F3N5O — CID 62736318

IUPAC2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CC(F)(F)F
InChIInChI=1S/C7H12F3N5O/c1-16-3-2-11-4-6-12-13-14-15(6)5-7(8,9)10/h11H,2-5H2,1H3
InChIKeySABZYCYWKCWEIX-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.03
Rot. Bonds6

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

2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62736318) has the molecular formula C7H12F3N5O and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62736318
Molecular FormulaC7H12F3N5O
Molecular Weight239.20 g/mol
Exact Mass239.10
IUPAC Name2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CC(F)(F)F
InChIInChI=1S/C7H12F3N5O/c1-16-3-2-11-4-6-12-13-14-15(6)5-7(8,9)10/h11H,2-5H2,1H3
InChIKeySABZYCYWKCWEIX-UHFFFAOYSA-N
XLogP-0.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.03
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 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine (CID 62736318) is 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1CC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is SABZYCYWKCWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5O/c1-16-3-2-11-4-6-12-13-14-15(6)5-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 239.20 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62736318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).