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Structure

1H,1H,2H,2H-Perfluorohexan-1-ol

CAS
2043-47-2
Catalog Number
ACM2043472
Category
Other Products
Molecular Weight
264.09g/mol
Molecular Formula
C6H5F9O

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Specification

IUPAC Name
3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol
Canonical SMILES
C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
InChI Key
JCMNMOBHVPONLD-UHFFFAOYSA-N
Complexity
243
Covalently-Bonded Unit Count
1
EC Number
218-050-9
Exact Mass
264.019668g/mol
Formal Charge
0
H-Bond Acceptor
10
H-Bond Donor
1
Heavy Atom Count
16
LogP
3.3 (LogP)
Monoisotopic Mass
264.019668g/mol
Rotatable Bond Count
4
XLogP3
3

Upstream Synthesis Route 1

  • 2043-55-2
  • 2043-47-2

Reference: [1]Journal of Fluorine Chemistry,1983,vol. 23,p. 57
[2]Patent: CN108911983,2018,A .Location in patent: Paragraph 0019; 0022; 0029; 0032
[3]Journal of Fluorine Chemistry,1983,vol. 23,p. 57
[4]Patent: CN107324973,2017,A .Location in patent: Paragraph 0026-0032

Downstream Synthesis Route 1

  • 79-41-4
  • 2043-47-2
  • 1799-84-4

Reference: [1] Patent: US2009/23948, 2009, A1, . Location in patent: Page/Page column 5

Downstream Synthesis Route 2

  • 760-93-0
  • 2043-47-2
  • 1799-84-4

Reference: [1] Journal of Fluorine Chemistry, 1997, vol. 82, # 2, p. 119 - 124

Downstream Synthesis Route 3

  • 2043-47-2
  • 141478-84-4
  • 141478-94-6

Reference: [1]Synthesis,1992,p. 315 - 319

Downstream Synthesis Route 4

  • 2043-47-2
  • 598-21-0
  • 132711-97-8

Reference: [1]Journal of Fluorine Chemistry,1992,vol. 59,p. 127 - 132

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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