2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid

C8H11FN2O2 — CID 84769979

IUPAC2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc(CF)[nH]1
InChIInChI=1S/C8H11FN2O2/c1-8(2,7(12)13)5-4-10-6(3-9)11-5/h4H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyHOVFYMFWJNDBAC-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.24
Rot. Bonds3

About 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid

2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid (PubChem CID 84769979) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid
PubChem CID84769979
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc(CF)[nH]1
InChIInChI=1S/C8H11FN2O2/c1-8(2,7(12)13)5-4-10-6(3-9)11-5/h4H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyHOVFYMFWJNDBAC-UHFFFAOYSA-N
XLogP1.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid (CID 84769979) is 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cnc(CF)[nH]1.
What is the InChIKey of 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid?
The InChIKey is HOVFYMFWJNDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-8(2,7(12)13)5-4-10-6(3-9)11-5/h4H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid?
2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid has a molecular weight of 186.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1H-imidazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84769979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).