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

C7H12F3N5O — CID 103086200

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C7H12F3N5O/c1-5(11)6-12-13-14-15(6)2-3-16-4-7(8,9)10/h5H,2-4,11H2,1H3
InChIKeyDNGDHUWLCJWJPX-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.27
Rot. Bonds5

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

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine (PubChem CID 103086200) has the molecular formula C7H12F3N5O and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine
PubChem CID103086200
Molecular FormulaC7H12F3N5O
Molecular Weight239.20 g/mol
Exact Mass239.10
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C7H12F3N5O/c1-5(11)6-12-13-14-15(6)2-3-16-4-7(8,9)10/h5H,2-4,11H2,1H3
InChIKeyDNGDHUWLCJWJPX-UHFFFAOYSA-N
XLogP0.27
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.27
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-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine (CID 103086200) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine is CC(N)c1nnnn1CCOCC(F)(F)F.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine?
The InChIKey is DNGDHUWLCJWJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5O/c1-5(11)6-12-13-14-15(6)2-3-16-4-7(8,9)10/h5H,2-4,11H2,1H3.
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine has a molecular weight of 239.20 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).