2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid

C9H9F3N2O2 — CID 83850633

IUPAC2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-13-7(3-8(15)16)14(6)5-1-2-5/h4-5H,1-3H2,(H,15,16)
InChIKeyXKEKDUNZNMCORB-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.86
Rot. Bonds3

About 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid

2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid (PubChem CID 83850633) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
PubChem CID83850633
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)(F)F)n1C1CC1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-13-7(3-8(15)16)14(6)5-1-2-5/h4-5H,1-3H2,(H,15,16)
InChIKeyXKEKDUNZNMCORB-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid (CID 83850633) is 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid is O=C(O)Cc1ncc(C(F)(F)F)n1C1CC1.
What is the InChIKey of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
The InChIKey is XKEKDUNZNMCORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-13-7(3-8(15)16)14(6)5-1-2-5/h4-5H,1-3H2,(H,15,16).
What are the key properties of 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid has a molecular weight of 234.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid is sourced from PubChem (CID 83850633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).