chempirical

3-Heptafluorobutyryl-(+)-camphor

C14H15F7O2CAS 51800-99-8348.26 g/mol

Open in Covalent MOL file
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Alkyl halideKetone

Properties

Molecular formula
C14H15F7O2
Molar mass
348.26 g/mol
Exact mass
348.0960 Da
logP
4.03Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
51800-99-8
SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
PEWOESYEGLBLNR-XGLFCGLISA-N
InChI
InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethyl-, (1R,4R)-
  • Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethyl-, (1R)-
  • (1R,4R)-3-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
  • 3-(Heptafluorobutyryl)-d-camphor
  • (+)-3-Heptafluorobutyrylcamphor

Work with 3-Heptafluorobutyryl-(+)-camphor

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-3-Bromocamphor10293-06-851 % similar (1S,3R,4R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one64474-54-051 % similar 3-Bromocamphor76-29-951 % similar 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-337 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-935 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-433 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-133 % similar (±)-Camphor21368-68-332 % similar

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

Elsewhere

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