2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole

C11H7F5N2O — CID 23218982

IUPAC2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole
SMILESFc1c(F)c(F)c(OCCc2ncc[nH]2)c(F)c1F
InChIInChI=1S/C11H7F5N2O/c12-6-7(13)9(15)11(10(16)8(6)14)19-4-1-5-17-2-3-18-5/h2-3H,1,4H2,(H,17,18)
InChIKeyPLAKGVPGZPWOLU-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.73
Rot. Bonds4

About 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole

2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole (PubChem CID 23218982) has the molecular formula C11H7F5N2O and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole
PubChem CID23218982
Molecular FormulaC11H7F5N2O
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole
SMILESFc1c(F)c(F)c(OCCc2ncc[nH]2)c(F)c1F
InChIInChI=1S/C11H7F5N2O/c12-6-7(13)9(15)11(10(16)8(6)14)19-4-1-5-17-2-3-18-5/h2-3H,1,4H2,(H,17,18)
InChIKeyPLAKGVPGZPWOLU-UHFFFAOYSA-N
XLogP2.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(1H-imidazol-2-yl)ethanol
CID 15016080
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
2-(1H-imidazol-2-yl)ethanol;hydrobromide
CID 175547099
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414
2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole
CID 173264611
2-(1H-imidazol-2-yl)ethyl benzoate;hydrochloride
CID 67591450
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
2-octyl-1H-imidazole
CID 18347297

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole (CID 23218982) is 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole is Fc1c(F)c(F)c(OCCc2ncc[nH]2)c(F)c1F.
What is the InChIKey of 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole?
The InChIKey is PLAKGVPGZPWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O/c12-6-7(13)9(15)11(10(16)8(6)14)19-4-1-5-17-2-3-18-5/h2-3H,1,4H2,(H,17,18).
What are the key properties of 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole?
2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole has a molecular weight of 278.18 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-1H-imidazole is sourced from PubChem (CID 23218982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).