2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole

C10H6F4N2 — CID 70028778

IUPAC2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFc1c(-c2ncc[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C10H6F4N2/c11-8-6(9-15-4-5-16-9)2-1-3-7(8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyWRUNPQAFSWBEBK-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.23
Rot. Bonds1

About 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole

2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 70028778) has the molecular formula C10H6F4N2 and a molecular weight of 230.16 g/mol. Its IUPAC name is 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID70028778
Molecular FormulaC10H6F4N2
Molecular Weight230.16 g/mol
Exact Mass230.05
IUPAC Name2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFc1c(-c2ncc[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C10H6F4N2/c11-8-6(9-15-4-5-16-9)2-1-3-7(8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyWRUNPQAFSWBEBK-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole (CID 70028778) is 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole is Fc1c(-c2ncc[nH]2)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is WRUNPQAFSWBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2/c11-8-6(9-15-4-5-16-9)2-1-3-7(8)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole?
2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 230.16 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 70028778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).