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

C7H8F4N4O2 — CID 79660475

IUPAC4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1C(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4O2/c8-5(9)7(10,11)6-12-13-14-15(6)3-1-2-4(16)17/h5H,1-3H2,(H,16,17)
InChIKeyZFEWZDVJAIZUBO-UHFFFAOYSA-N
MW256.16 g/mol
LogP0.89
Rot. Bonds6

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

4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid (PubChem CID 79660475) has the molecular formula C7H8F4N4O2 and a molecular weight of 256.16 g/mol. Its IUPAC name is 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
PubChem CID79660475
Molecular FormulaC7H8F4N4O2
Molecular Weight256.16 g/mol
Exact Mass256.06
IUPAC Name4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1C(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4O2/c8-5(9)7(10,11)6-12-13-14-15(6)3-1-2-4(16)17/h5H,1-3H2,(H,16,17)
InChIKeyZFEWZDVJAIZUBO-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid (CID 79660475) is 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid is O=C(O)CCCn1nnnc1C(F)(F)C(F)F.
What is the InChIKey of 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is ZFEWZDVJAIZUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O2/c8-5(9)7(10,11)6-12-13-14-15(6)3-1-2-4(16)17/h5H,1-3H2,(H,16,17).
What are the key properties of 4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 256.16 g/mol, XLogP of 0.89, 6 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-tetrafluoroethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79660475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).