2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid

C7H10F2N4O2 — CID 84685322

IUPAC2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid
SMILESCC(F)(F)CCn1nnnc1CC(=O)O
InChIInChI=1S/C7H10F2N4O2/c1-7(8,9)2-3-13-5(4-6(14)15)10-11-12-13/h2-4H2,1H3,(H,14,15)
InChIKeyVFVMNDQBJPRGRR-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.35
Rot. Bonds5

About 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid

2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid (PubChem CID 84685322) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid
PubChem CID84685322
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC Name2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid
SMILESCC(F)(F)CCn1nnnc1CC(=O)O
InChIInChI=1S/C7H10F2N4O2/c1-7(8,9)2-3-13-5(4-6(14)15)10-11-12-13/h2-4H2,1H3,(H,14,15)
InChIKeyVFVMNDQBJPRGRR-UHFFFAOYSA-N
XLogP0.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid (CID 84685322) is 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid is CC(F)(F)CCn1nnnc1CC(=O)O.
What is the InChIKey of 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid?
The InChIKey is VFVMNDQBJPRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c1-7(8,9)2-3-13-5(4-6(14)15)10-11-12-13/h2-4H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid?
2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid has a molecular weight of 220.18 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluorobutyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 84685322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).