5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole

C8H9F5N2O2 — CID 588045

IUPAC5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole
SMILESCOC(OC)(c1cnc[nH]1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5N2O2/c1-16-6(17-2,5-3-14-4-15-5)7(9,10)8(11,12)13/h3-4H,1-2H3,(H,14,15)
InChIKeyFECLCVPOFXSDQQ-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.05
Rot. Bonds4

About 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole

5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole (PubChem CID 588045) has the molecular formula C8H9F5N2O2 and a molecular weight of 260.16 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole
PubChem CID588045
Molecular FormulaC8H9F5N2O2
Molecular Weight260.16 g/mol
Exact Mass260.06
IUPAC Name5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole
SMILESCOC(OC)(c1cnc[nH]1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5N2O2/c1-16-6(17-2,5-3-14-4-15-5)7(9,10)8(11,12)13/h3-4H,1-2H3,(H,14,15)
InChIKeyFECLCVPOFXSDQQ-UHFFFAOYSA-N
XLogP2.05
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-difluoroethyl)-1H-imidazole
CID 147887964
5-(1,1-difluoro-2-methylpropyl)-1H-imidazole
CID 166858374
potassium;5-tert-butyl-1H-imidazole;carbanide;methane
CID 162271210
5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
CID 152974104
2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide
CID 130626517
2-(1H-imidazol-5-yl)-3-methylbutan-2-ol
CID 101065670
amino-chloro-(1H-imidazol-5-yl)methanol
CID 174473785
ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 155858690
2,2-diamino-2-(1H-imidazol-5-yl)acetic acid
CID 145101043
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
5-(2-methyloctan-2-yl)-1H-imidazole
CID 137457027
1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol
CID 121305500

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole?
The IUPAC name of 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole (CID 588045) is 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole is COC(OC)(c1cnc[nH]1)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole?
The InChIKey is FECLCVPOFXSDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5N2O2/c1-16-6(17-2,5-3-14-4-15-5)7(9,10)8(11,12)13/h3-4H,1-2H3,(H,14,15).
What are the key properties of 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole?
5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole has a molecular weight of 260.16 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoro-1,1-dimethoxypropyl)-1H-imidazole is sourced from PubChem (CID 588045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).