ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate

C6H7F3N4O2 — CID 67175943

IUPACethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O2/c1-2-15-4(14)3-13-11-5(10-12-13)6(7,8)9/h2-3H2,1H3
InChIKeyLHWMGHGOFMNMDT-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.25
Rot. Bonds3

About ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate

ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate (PubChem CID 67175943) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate
PubChem CID67175943
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Nameethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O2/c1-2-15-4(14)3-13-11-5(10-12-13)6(7,8)9/h2-3H2,1H3
InChIKeyLHWMGHGOFMNMDT-UHFFFAOYSA-N
XLogP0.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate (CID 67175943) is ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate?
The InChIKey is LHWMGHGOFMNMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c1-2-15-4(14)3-13-11-5(10-12-13)6(7,8)9/h2-3H2,1H3.
What are the key properties of ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate?
ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate has a molecular weight of 224.14 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(trifluoromethyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 67175943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).