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

C4H4F2N4O2 — CID 66043573

IUPAC2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1C(F)F
InChIInChI=1S/C4H4F2N4O2/c5-3(6)4-7-8-9-10(4)1-2(11)12/h3H,1H2,(H,11,12)
InChIKeyWQUQYPRQRLRSLN-UHFFFAOYSA-N
MW178.10 g/mol
LogP-0.30
Rot. Bonds3

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

2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid (PubChem CID 66043573) has the molecular formula C4H4F2N4O2 and a molecular weight of 178.10 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid
PubChem CID66043573
Molecular FormulaC4H4F2N4O2
Molecular Weight178.10 g/mol
Exact Mass178.03
IUPAC Name2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1C(F)F
InChIInChI=1S/C4H4F2N4O2/c5-3(6)4-7-8-9-10(4)1-2(11)12/h3H,1H2,(H,11,12)
InChIKeyWQUQYPRQRLRSLN-UHFFFAOYSA-N
XLogP-0.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid (CID 66043573) is 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid?
The InChIKey is WQUQYPRQRLRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N4O2/c5-3(6)4-7-8-9-10(4)1-2(11)12/h3H,1H2,(H,11,12).
What are the key properties of 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid?
2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid has a molecular weight of 178.10 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66043573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).