2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid

C13H14F2N4O2 — CID 79813158

IUPAC2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N4O2/c1-3-13(4-2,12(20)21)19-11(16-17-18-19)9-7-8(14)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyRVVXCBDQCFMCOA-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.22
Rot. Bonds5

About 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid

2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid (PubChem CID 79813158) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
PubChem CID79813158
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N4O2/c1-3-13(4-2,12(20)21)19-11(16-17-18-19)9-7-8(14)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyRVVXCBDQCFMCOA-UHFFFAOYSA-N
XLogP2.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
CID 79813162
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040602
2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid
CID 102922998
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
CID 79809564
3-[5-(2,4-difluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429102
2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 102885707
2-[5-(3,5-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79788966
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
CID 79809910
2-[[5-(2,5-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392456
2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 82818547

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid?
The IUPAC name of 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid (CID 79813158) is 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid is CCC(CC)(C(=O)O)n1nnnc1-c1cc(F)ccc1F.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid?
The InChIKey is RVVXCBDQCFMCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-3-13(4-2,12(20)21)19-11(16-17-18-19)9-7-8(14)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid?
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid has a molecular weight of 296.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid is sourced from PubChem (CID 79813158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).