2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid

C10H15F3N4O2 — CID 79809647

IUPAC2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1CCC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-3-9(4-2,8(18)19)17-7(14-15-16-17)5-6-10(11,12)13/h3-6H2,1-2H3,(H,18,19)
InChIKeyVDWJWTKUICNHPY-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.77
Rot. Bonds6

About 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid

2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid (PubChem CID 79809647) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
PubChem CID79809647
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1CCC(F)(F)F
InChIInChI=1S/C10H15F3N4O2/c1-3-9(4-2,8(18)19)17-7(14-15-16-17)5-6-10(11,12)13/h3-6H2,1-2H3,(H,18,19)
InChIKeyVDWJWTKUICNHPY-UHFFFAOYSA-N
XLogP1.77
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid (CID 79809647) is 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid is CCC(CC)(C(=O)O)n1nnnc1CCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
The InChIKey is VDWJWTKUICNHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-3-9(4-2,8(18)19)17-7(14-15-16-17)5-6-10(11,12)13/h3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid?
2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid has a molecular weight of 280.25 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(3,3,3-trifluoropropyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79809647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).