2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid

C10H11F3N2O2 — CID 83851254

IUPAC2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nc(C(F)(F)F)cn1C1CC1
InChIInChI=1S/C10H11F3N2O2/c1-5(9(16)17)8-14-7(10(11,12)13)4-15(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyUCPZPZYCXWZQNV-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.42
Rot. Bonds3

About 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid

2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid (PubChem CID 83851254) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
PubChem CID83851254
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nc(C(F)(F)F)cn1C1CC1
InChIInChI=1S/C10H11F3N2O2/c1-5(9(16)17)8-14-7(10(11,12)13)4-15(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyUCPZPZYCXWZQNV-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid?
The IUPAC name of 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid (CID 83851254) is 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid?
The canonical SMILES for 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid is CC(C(=O)O)c1nc(C(F)(F)F)cn1C1CC1.
What is the InChIKey of 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid?
The InChIKey is UCPZPZYCXWZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5(9(16)17)8-14-7(10(11,12)13)4-15(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid?
2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid is sourced from PubChem (CID 83851254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).