2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid

C5H5F3N4O2 — CID 66008475

IUPAC2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CC(F)(F)F
InChIInChI=1S/C5H5F3N4O2/c6-5(7,8)1-3-9-10-11-12(3)2-4(13)14/h1-2H2,(H,13,14)
InChIKeyAFHNIQZPQSXWQP-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.14
Rot. Bonds3

About 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid

2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid (PubChem CID 66008475) has the molecular formula C5H5F3N4O2 and a molecular weight of 210.11 g/mol. Its IUPAC name is 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid
PubChem CID66008475
Molecular FormulaC5H5F3N4O2
Molecular Weight210.11 g/mol
Exact Mass210.04
IUPAC Name2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CC(F)(F)F
InChIInChI=1S/C5H5F3N4O2/c6-5(7,8)1-3-9-10-11-12(3)2-4(13)14/h1-2H2,(H,13,14)
InChIKeyAFHNIQZPQSXWQP-UHFFFAOYSA-N
XLogP-0.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid (CID 66008475) is 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1CC(F)(F)F.
What is the InChIKey of 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid?
The InChIKey is AFHNIQZPQSXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O2/c6-5(7,8)1-3-9-10-11-12(3)2-4(13)14/h1-2H2,(H,13,14).
What are the key properties of 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid?
2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid has a molecular weight of 210.11 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66008475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).