4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)hex-1-yne

Base Information

• Chemical Name: 4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)hex-1-yne
• CAS No.: 261503-44-0
• Molecular Formula: C8HF13
• Molecular Weight: 344.0727816
• Hs Code.: 2903590090
• European Community (EC) Number: 800-094-0
• DSSTox Substance ID: DTXSID60893374
• Wikidata: Q82871273
• Mol file: 261503-44-0.mol

Synonyms:261503-44-0;1H-HEPTAFLUORO-3,3-BIS(TRIFLUOROMETHYL)-1-HEXYNE;4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-yne;3,3-Bis(trifluoromethyl)-4,4,5,5,6,6,6-heptafluorohex-1-yne;1H-Perfluoro-3,3-bis(trifluoromethyl)hexyne;1H-Tridecafluoro-3,3-dimethylhex-1-yne;1H-Heptafluoro-3,3-bis(trifluoromethyl)hex-1-yne;DTXSID60893374;MFCD00155807;AKOS008901177;3,3-Bis(trifluoromethyl)-1H-heptafluorohex-1-yne

Chemical Property of 4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)hex-1-yne

Chemical Property:

• PSA: 0.00000
• LogP: 4.56350
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 343.9870661
• Heavy Atom Count: 21
• Complexity: 422

Purity/Quality:

99%min. ^*data from raw suppliers

1H-Heptafluoro-3,3-bis(trifluoromethyl)hex-1-yne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F