Pentafluranol

Base Information

• Chemical Name: Pentafluranol
• CAS No.: 65634-39-1
• Molecular Formula: C17H15F5O2
• Molecular Weight: 346.2918
• UNII: 95RFZ48151
• ChEMBL ID: CHEMBL3989493
• DSSTox Substance ID: DTXSID001024356
• NCI Thesaurus Code: C76825
• Nikkaji Number: J20.062J
• Wikidata: Q27271815
• Wikipedia: Pentafluranol
• Mol file: 65634-39-1.mol

Synonyms:Pentafluranol;65634-39-1;4,4'-((1R,2S)-1-Methyl-2-(2,2,2-trifluoroethyl)ethylene)bis(2-fluorophenol);95RFZ48151;2-fluoro-4-[(2R,3S)-5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol;Pentafluranol [INN:BAN];UNII-95RFZ48151;PENTAFLURANOL [INN];SCHEMBL2734658;CHEMBL3989493;DTXSID001024356;Q27271815

Chemical Property of Pentafluranol

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Boiling Point: 354.2°Cat760mmHg
• PKA: 8.65±0.31(Predicted)
• Flash Point: 168°C
• PSA: 40.46000
• Density: 1.354g/cm³
• LogP: 5.21570
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 346.09922053
• Heavy Atom Count: 24
• Complexity: 403

Purity/Quality:

99% ^*data from raw suppliers

PENTAFLURANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=C(C=C1)O)F)C(CC(F)(F)F)C2=CC(=C(C=C2)O)F
• Isomeric SMILES: C[C@@H](C1=CC(=C(C=C1)O)F)[C@H](CC(F)(F)F)C2=CC(=C(C=C2)O)F

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