4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid

C7H10F2N4O2 — CID 80541220

IUPAC4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCC(CCn1nnnc1C(F)F)C(=O)O
InChIInChI=1S/C7H10F2N4O2/c1-4(7(14)15)2-3-13-6(5(8)9)10-11-12-13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyCHGXOMWZIKACBR-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.72
Rot. Bonds5

About 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid

4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid (PubChem CID 80541220) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid
PubChem CID80541220
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC Name4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCC(CCn1nnnc1C(F)F)C(=O)O
InChIInChI=1S/C7H10F2N4O2/c1-4(7(14)15)2-3-13-6(5(8)9)10-11-12-13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyCHGXOMWZIKACBR-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The IUPAC name of 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid (CID 80541220) is 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid is CC(CCn1nnnc1C(F)F)C(=O)O.
What is the InChIKey of 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The InChIKey is CHGXOMWZIKACBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c1-4(7(14)15)2-3-13-6(5(8)9)10-11-12-13/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid?
4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid has a molecular weight of 220.18 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)tetrazol-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 80541220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).