4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid

C12H13FN4O2 — CID 66047470

IUPAC4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1Cc1ccccc1F
InChIInChI=1S/C12H13FN4O2/c13-10-5-2-1-4-9(10)8-11-14-15-16-17(11)7-3-6-12(18)19/h1-2,4-5H,3,6-8H2,(H,18,19)
InChIKeyIWICPSOMXAFUME-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.27
Rot. Bonds6

About 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid

4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid (PubChem CID 66047470) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
PubChem CID66047470
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1Cc1ccccc1F
InChIInChI=1S/C12H13FN4O2/c13-10-5-2-1-4-9(10)8-11-14-15-16-17(11)7-3-6-12(18)19/h1-2,4-5H,3,6-8H2,(H,18,19)
InChIKeyIWICPSOMXAFUME-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160538
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
CID 82226252
4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
CID 66046763
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264
6-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 94970277
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
2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 28830599

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid (CID 66047470) is 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid is O=C(O)CCCn1nnnc1Cc1ccccc1F.
What is the InChIKey of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid?
The InChIKey is IWICPSOMXAFUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-10-5-2-1-4-9(10)8-11-14-15-16-17(11)7-3-6-12(18)19/h1-2,4-5H,3,6-8H2,(H,18,19).
What are the key properties of 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid?
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid has a molecular weight of 264.26 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66047470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).