chempirical

2,2,3,3,4,4,4-Heptafluorobutanol

C4H3F7OCAS 375-01-9200.06 g/mol

Open in Covalent MOL file
HOFFFFFFF
AlcoholAlkyl halide

Properties

Molecular formula
C4H3F7O
Molar mass
200.06 g/mol
Exact mass
200.0072 Da
Boiling point
95 °C
logP
1.81Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
375-01-9
SMILES
OCC(F)(F)C(F)(F)C(F)(F)F
InChIKey
WXJFKAZDSQLPBX-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-
  • 2,2,3,3,4,4,4-Heptafluoro-1-butanol
  • 1H,1H-Heptafluorobutanol-1
  • 1,1-Dihydroperfluorobutyl alcohol
  • α,α-Dihydroperfluorobutanol
  • Heptafluoro-1,1-dihydrobutyl alcohol
  • 1,1-Dihydroperfluoro-1-butanol
  • (Perfluoropropyl)methanol
  • 1H,1H-Heptafluoro-1-butanol
  • NSC 60528
  • 1H,1H-Heptafluorobutanol

Work with 2,2,3,3,4,4,4-Heptafluorobutanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H,1H-Perfluorooctanol307-30-281 % similar 1H,1H-Perfluoroundecan-1-ol307-46-081 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-681 % similar 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol355-74-874 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-974 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-970 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-170 % similar 2,2,3,3,3-Pentafluoropropanol422-05-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sevoflurane28523-86-6 Methyl perfluoropropyl ether375-03-1 1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane406-78-0

Elsewhere

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