2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid

C14H11F3N2O2 — CID 68510152

IUPAC2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)13-18-6-11(19-13)8-3-1-7(2-4-8)9-5-10(9)12(20)21/h1-4,6,9-10H,5H2,(H,18,19)(H,20,21)
InChIKeyGFHCBAZOQKIERS-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid

2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 68510152) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID68510152
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)13-18-6-11(19-13)8-3-1-7(2-4-8)9-5-10(9)12(20)21/h1-4,6,9-10H,5H2,(H,18,19)(H,20,21)
InChIKeyGFHCBAZOQKIERS-UHFFFAOYSA-N
XLogP3.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid (CID 68510152) is 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is GFHCBAZOQKIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)13-18-6-11(19-13)8-3-1-7(2-4-8)9-5-10(9)12(20)21/h1-4,6,9-10H,5H2,(H,18,19)(H,20,21).
What are the key properties of 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 68510152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).