3-Ethyl-6,6,6-trifluorohex-4-yn-3-ol
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Basic information
- CAS
261503-41-7- Standard SMILES
CCC(O)(C#CC(F)(F)F)CC- InChIKey
LCUGCANDXKFGRP-UHFFFAOYSA-N- Molecular formula
- C8H11F3O
- Average molar mass
- 180.17 g/mol
- Monoisotopic mass
- 180.07619946
Names & identifiers
- Preferred name
- 3-Ethyl-6,6,6-trifluorohex-4-yn-3-ol
- IUPAC
- 3-ethyl-6,6,6-trifluorohex-4-yn-3-ol
- English name
- 3-ETHYL-6-6-6-TRIFLUOROHEX-4-YN-3-OL
- Molecular formula
- C8H11F3O
- Molecular weight
- 180.17
Names & synonyms
3-Ethyl-6,6,6-trifluorohex-4-yn-3-ol261503-41-7DTXSID501290009MFCD00153119AKOS0079304703-ethyl-6,6,6-trifluoro-hex-4-yn-3-ol3-ETHYL-6,6,6-TRIFLUORO-4-HEXYN-3-OL3-ETHYL-6-6-6-TRIFLUOROHEX-4-YN-3-OL4-Hexyn-3-ol, 3-ethyl-6,6,6-trifluoro-
Database identifiers
- CAS
261503-41-7- PubChem CID
- 56587780
- DTXSID
DTXSID501290009- Nikkaji
- J2.900.950C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 166.7 · 166.7±35.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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