4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid

C10H15F3N4O3 — CID 103213544

IUPAC4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid
SMILESCC(C)C(CC(=O)O)n1nnnc1COCC(F)(F)F
InChIInChI=1S/C10H15F3N4O3/c1-6(2)7(3-9(18)19)17-8(14-15-16-17)4-20-5-10(11,12)13/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyZDUWAUJSLVOGRW-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.42
Rot. Bonds7

About 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid

4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid (PubChem CID 103213544) has the molecular formula C10H15F3N4O3 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid
PubChem CID103213544
Molecular FormulaC10H15F3N4O3
Molecular Weight296.25 g/mol
Exact Mass296.11
IUPAC Name4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid
SMILESCC(C)C(CC(=O)O)n1nnnc1COCC(F)(F)F
InChIInChI=1S/C10H15F3N4O3/c1-6(2)7(3-9(18)19)17-8(14-15-16-17)4-20-5-10(11,12)13/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyZDUWAUJSLVOGRW-UHFFFAOYSA-N
XLogP1.42
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid?
The IUPAC name of 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid (CID 103213544) is 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid is CC(C)C(CC(=O)O)n1nnnc1COCC(F)(F)F.
What is the InChIKey of 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid?
The InChIKey is ZDUWAUJSLVOGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3/c1-6(2)7(3-9(18)19)17-8(14-15-16-17)4-20-5-10(11,12)13/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid?
4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid has a molecular weight of 296.25 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 103213544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).