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

C7H11FN4O2 — CID 84670491

IUPAC2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid
SMILESCC(C)(F)Cn1nnnc1CC(=O)O
InChIInChI=1S/C7H11FN4O2/c1-7(2,8)4-12-5(3-6(13)14)9-10-11-12/h3-4H2,1-2H3,(H,13,14)
InChIKeyHJCYRVDGEBEKKP-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.05
Rot. Bonds4

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

2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid (PubChem CID 84670491) has the molecular formula C7H11FN4O2 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid
PubChem CID84670491
Molecular FormulaC7H11FN4O2
Molecular Weight202.19 g/mol
Exact Mass202.09
IUPAC Name2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid
SMILESCC(C)(F)Cn1nnnc1CC(=O)O
InChIInChI=1S/C7H11FN4O2/c1-7(2,8)4-12-5(3-6(13)14)9-10-11-12/h3-4H2,1-2H3,(H,13,14)
InChIKeyHJCYRVDGEBEKKP-UHFFFAOYSA-N
XLogP0.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-Fluoroethyl)tetrazol-5-yl]acetic acid
CID 84654811
4,4-Difluoro-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]butanoic acid
CID 176393359
1-Butyl-5-carboxymethyl-4-(2-cyano-ethyl)-4h-tetrazolium bromide
CID 24799025
3-[5-(Trifluoromethyl)tetrazol-1-yl]propanoic acid
CID 65813767
3-[5-(Difluoromethyl)tetrazol-1-yl]propanoic acid
CID 66041016
3-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]propanoic acid
CID 66041207
3-[5-(Difluoromethyl)tetrazol-1-yl]butanoic acid
CID 66041423
3-[5-(1,1,2,2,2-Pentafluoroethyl)tetrazol-1-yl]propanoic acid
CID 66042023
3-[5-(3,3,3-Trifluoropropyl)tetrazol-1-yl]propanoic acid
CID 66042029
3-[5-(2,2,2-Trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 66042225
3-[5-(Trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 66042228
3-[5-(1,1,2,2,2-Pentafluoroethyl)tetrazol-1-yl]butanoic acid
CID 66043863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid (CID 84670491) is 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid is CC(C)(F)Cn1nnnc1CC(=O)O.
What is the InChIKey of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid?
The InChIKey is HJCYRVDGEBEKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2/c1-7(2,8)4-12-5(3-6(13)14)9-10-11-12/h3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid?
2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid has a molecular weight of 202.19 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 84670491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).