1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole

C10H6F4N2O — CID 91091733

IUPAC1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole
SMILESFc1c(OC(F)(F)F)cccc1-n1ccnc1
InChIInChI=1S/C10H6F4N2O/c11-9-7(16-5-4-15-6-16)2-1-3-8(9)17-10(12,13)14/h1-6H
InChIKeyRSXPYTFIHDKGEY-UHFFFAOYSA-N
MW246.16 g/mol
LogP2.91
Rot. Bonds2

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

1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole (PubChem CID 91091733) has the molecular formula C10H6F4N2O and a molecular weight of 246.16 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole
PubChem CID91091733
Molecular FormulaC10H6F4N2O
Molecular Weight246.16 g/mol
Exact Mass246.04
IUPAC Name1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole
SMILESFc1c(OC(F)(F)F)cccc1-n1ccnc1
InChIInChI=1S/C10H6F4N2O/c11-9-7(16-5-4-15-6-16)2-1-3-8(9)17-10(12,13)14/h1-6H
InChIKeyRSXPYTFIHDKGEY-UHFFFAOYSA-N
XLogP2.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-fluoro-3-(trifluoromethoxy)aniline
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1-naphthalen-1-ylimidazole;hydrochloride
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CID 166843849
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2-imidazol-1-ylaniline;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole (CID 91091733) is 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole is Fc1c(OC(F)(F)F)cccc1-n1ccnc1.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is RSXPYTFIHDKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O/c11-9-7(16-5-4-15-6-16)2-1-3-8(9)17-10(12,13)14/h1-6H.
What are the key properties of 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole?
1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 246.16 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 91091733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).