2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid

C4H4F2N4O2 — CID 115015041

IUPAC2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
SMILESCn1nnnc1C(F)(F)C(=O)O
InChIInChI=1S/C4H4F2N4O2/c1-10-2(7-8-9-10)4(5,6)3(11)12/h1H3,(H,11,12)
InChIKeyUWOWSCIWIXXZQN-UHFFFAOYSA-N
MW178.10 g/mol
LogP-0.61
Rot. Bonds2

About 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid

2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid (PubChem CID 115015041) has the molecular formula C4H4F2N4O2 and a molecular weight of 178.10 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
PubChem CID115015041
Molecular FormulaC4H4F2N4O2
Molecular Weight178.10 g/mol
Exact Mass178.03
IUPAC Name2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
SMILESCn1nnnc1C(F)(F)C(=O)O
InChIInChI=1S/C4H4F2N4O2/c1-10-2(7-8-9-10)4(5,6)3(11)12/h1H3,(H,11,12)
InChIKeyUWOWSCIWIXXZQN-UHFFFAOYSA-N
XLogP-0.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid (CID 115015041) is 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid is Cn1nnnc1C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid?
The InChIKey is UWOWSCIWIXXZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N4O2/c1-10-2(7-8-9-10)4(5,6)3(11)12/h1H3,(H,11,12).
What are the key properties of 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid?
2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid has a molecular weight of 178.10 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid is sourced from PubChem (CID 115015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).