4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid

C11H9F3N4O2 — CID 66046763

IUPAC4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3N4O2/c12-6-4-7(13)10(8(14)5-6)11-15-16-17-18(11)3-1-2-9(19)20/h4-5H,1-3H2,(H,19,20)
InChIKeyDHSONYAOBCDVTQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.62
Rot. Bonds5

About 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid

4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid (PubChem CID 66046763) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
PubChem CID66046763
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3N4O2/c12-6-4-7(13)10(8(14)5-6)11-15-16-17-18(11)3-1-2-9(19)20/h4-5H,1-3H2,(H,19,20)
InChIKeyDHSONYAOBCDVTQ-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 113400421
4-[5-(3-bromo-4-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 114020246
4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 66045097
4-[5-(3,5-dibromophenyl)tetrazol-1-yl]butanoic acid
CID 114023073
3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid
CID 113396072
4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 66044137
4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 66046045
3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104786745
4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid
CID 66121681
4-[5-(3-iodophenyl)tetrazol-1-yl]butanoic acid
CID 66043883
3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
CID 84759516
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid (CID 66046763) is 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid is O=C(O)CCCn1nnnc1-c1c(F)cc(F)cc1F.
What is the InChIKey of 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is DHSONYAOBCDVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-6-4-7(13)10(8(14)5-6)11-15-16-17-18(11)3-1-2-9(19)20/h4-5H,1-3H2,(H,19,20).
What are the key properties of 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid?
4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 286.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66046763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).