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

C7H9FN2O2 — CID 84766158

IUPAC2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(CF)[nH]1
InChIInChI=1S/C7H9FN2O2/c1-4(7(11)12)5-3-9-6(2-8)10-5/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyQFWNLIGJIRHQBC-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.07
Rot. Bonds3

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

2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid (PubChem CID 84766158) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid
PubChem CID84766158
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(CF)[nH]1
InChIInChI=1S/C7H9FN2O2/c1-4(7(11)12)5-3-9-6(2-8)10-5/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyQFWNLIGJIRHQBC-UHFFFAOYSA-N
XLogP1.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.07
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]propanoic acid?
The IUPAC name of 2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid (CID 84766158) is 2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid is CC(C(=O)O)c1cnc(CF)[nH]1.
What is the InChIKey of 2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid?
The InChIKey is QFWNLIGJIRHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-4(7(11)12)5-3-9-6(2-8)10-5/h3-4H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid?
2-[2-(fluoromethyl)-1H-imidazol-5-yl]propanoic acid has a molecular weight of 172.16 g/mol, XLogP of 1.07, 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]propanoic acid is sourced from PubChem (CID 84766158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).