1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole

C10H6ClF3N2O — CID 90910131

IUPAC1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole
SMILESFC(F)(F)Oc1ccc(-n2ccnc2)cc1Cl
InChIInChI=1S/C10H6ClF3N2O/c11-8-5-7(16-4-3-15-6-16)1-2-9(8)17-10(12,13)14/h1-6H
InChIKeyQBFWKEUTJOCDBD-UHFFFAOYSA-N
MW262.62 g/mol
LogP3.42
Rot. Bonds2

About 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole

1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole (PubChem CID 90910131) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole
PubChem CID90910131
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole
SMILESFC(F)(F)Oc1ccc(-n2ccnc2)cc1Cl
InChIInChI=1S/C10H6ClF3N2O/c11-8-5-7(16-4-3-15-6-16)1-2-9(8)17-10(12,13)14/h1-6H
InChIKeyQBFWKEUTJOCDBD-UHFFFAOYSA-N
XLogP3.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole (CID 90910131) is 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole is FC(F)(F)Oc1ccc(-n2ccnc2)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is QBFWKEUTJOCDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-8-5-7(16-4-3-15-6-16)1-2-9(8)17-10(12,13)14/h1-6H.
What are the key properties of 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole?
1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 262.62 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 90910131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).