2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid

C7H9FN2O2 — CID 84766150

IUPAC2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid
SMILESCC(F)c1ncc(CC(=O)O)[nH]1
InChIInChI=1S/C7H9FN2O2/c1-4(8)7-9-3-5(10-7)2-6(11)12/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyNUABNOKOPOXGLL-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.07
Rot. Bonds3

About 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid

2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 84766150) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid
PubChem CID84766150
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid
SMILESCC(F)c1ncc(CC(=O)O)[nH]1
InChIInChI=1S/C7H9FN2O2/c1-4(8)7-9-3-5(10-7)2-6(11)12/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyNUABNOKOPOXGLL-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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Related Compounds

1-Methylimidazoleacetic acid
CID 75810
1H-Imidazole-5-acetic acid
CID 96215
Imidazole-4-acetic acid hydrochloride
CID 145685
CID 28305488
CID 28305488
Imidazol-4-ylacetate
CID 4139109
1-Methylimidazole-5-acetic acid
CID 6451814
imidazole-4-acetic acid sodium salt
CID 23692664
1-methyl-1H-imidazol-4-acetic acid monohydrochloride
CID 16219703
2-(2-diazonio-1H-imidazol-5-yl)acetate
CID 13948297
Aminozooanemonin
CID 10080783
2-(2-amino-1H-imidazol-5-yl)acetic acid
CID 1501875
2-Amino-2-(1H-imidazol-5-yl)acetic acid
CID 10158234

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid (CID 84766150) is 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid is CC(F)c1ncc(CC(=O)O)[nH]1.
What is the InChIKey of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is NUABNOKOPOXGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-4(8)7-9-3-5(10-7)2-6(11)12/h3-4H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid?
2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]acetic 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-(1-fluoroethyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 84766150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).