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

C7H8F2N2O2 — CID 84771362

IUPAC2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(C(F)F)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-3(7(12)13)4-2-10-6(11-4)5(8)9/h2-3,5H,1H3,(H,10,11)(H,12,13)
InChIKeyXSCDKBAIPUUJFY-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.54
Rot. Bonds3

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

2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid (PubChem CID 84771362) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid
PubChem CID84771362
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(C(F)F)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-3(7(12)13)4-2-10-6(11-4)5(8)9/h2-3,5H,1H3,(H,10,11)(H,12,13)
InChIKeyXSCDKBAIPUUJFY-UHFFFAOYSA-N
XLogP1.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid?
The IUPAC name of 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid (CID 84771362) is 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid is CC(C(=O)O)c1cnc(C(F)F)[nH]1.
What is the InChIKey of 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid?
The InChIKey is XSCDKBAIPUUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-3(7(12)13)4-2-10-6(11-4)5(8)9/h2-3,5H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid?
2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid has a molecular weight of 190.15 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-1H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 84771362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).