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

C8H10F4N4O2 — CID 80541644

IUPAC2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
SMILESCC(CCn1nnnc1C(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H10F4N4O2/c1-4(5(17)18)2-3-16-7(13-14-15-16)8(11,12)6(9)10/h4,6H,2-3H2,1H3,(H,17,18)
InChIKeyAVUBNJVQUNRYCO-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.14
Rot. Bonds6

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

2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid (PubChem CID 80541644) has the molecular formula C8H10F4N4O2 and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
PubChem CID80541644
Molecular FormulaC8H10F4N4O2
Molecular Weight270.19 g/mol
Exact Mass270.07
IUPAC Name2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid
SMILESCC(CCn1nnnc1C(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H10F4N4O2/c1-4(5(17)18)2-3-16-7(13-14-15-16)8(11,12)6(9)10/h4,6H,2-3H2,1H3,(H,17,18)
InChIKeyAVUBNJVQUNRYCO-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.14
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 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid (CID 80541644) is 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid is CC(CCn1nnnc1C(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is AVUBNJVQUNRYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O2/c1-4(5(17)18)2-3-16-7(13-14-15-16)8(11,12)6(9)10/h4,6H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid?
2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 270.19 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 80541644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).