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

C7H7F5N4O2 — CID 66044387

IUPAC4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F5N4O2/c8-6(9,7(10,11)12)5-13-14-15-16(5)3-1-2-4(17)18/h1-3H2,(H,17,18)
InChIKeyDAZRZHGXLBQOJA-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.19
Rot. Bonds5

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

4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid (PubChem CID 66044387) has the molecular formula C7H7F5N4O2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid
PubChem CID66044387
Molecular FormulaC7H7F5N4O2
Molecular Weight274.15 g/mol
Exact Mass274.05
IUPAC Name4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F5N4O2/c8-6(9,7(10,11)12)5-13-14-15-16(5)3-1-2-4(17)18/h1-3H2,(H,17,18)
InChIKeyDAZRZHGXLBQOJA-UHFFFAOYSA-N
XLogP1.19
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Fluoroethyl)tetrazol-5-yl]acetic acid
CID 84654811
4,4-Difluoro-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]butanoic acid
CID 176393359
3-[5-(Trifluoromethyl)tetrazol-1-yl]propanoic acid
CID 65813767
4-[5-(Trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 65815883
3-[5-(Difluoromethyl)tetrazol-1-yl]propanoic acid
CID 66041016
3-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]propanoic acid
CID 66041207
3-[5-(1,1,2,2,2-Pentafluoroethyl)tetrazol-1-yl]propanoic acid
CID 66042023
3-[5-(3,3,3-Trifluoropropyl)tetrazol-1-yl]propanoic acid
CID 66042029
3-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 66042225
3-[5-(Trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 66042228
3-[5-(1,1,2,2,2-Pentafluoroethyl)tetrazol-1-yl]butanoic acid
CID 66043863
4-[5-(Difluoromethyl)tetrazol-1-yl]butanoic acid
CID 66043892

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid (CID 66044387) is 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid is O=C(O)CCCn1nnnc1C(F)(F)C(F)(F)F.
What is the InChIKey of 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is DAZRZHGXLBQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N4O2/c8-6(9,7(10,11)12)5-13-14-15-16(5)3-1-2-4(17)18/h1-3H2,(H,17,18).
What are the key properties of 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid?
4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 274.15 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).