3-Perfluorooctyl-2-iodopropanol

C₁₁H₆F₁₇IOCAS 38550-45-7604.05 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₁H₆F₁₇IO
Molar mass: 604.05 g/mol
Exact mass: 603.9192 Da
logP: 6.18Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

38550-45-7

SMILES

C(C(CO)I)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChIKey

WNOHMWCTVWXSJC-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,30H,1-2H2

Weigh it out

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

Names and synonyms

1 names

1-Undecanol, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodo-

Work with 3-Perfluorooctyl-2-iodopropanol

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

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononane-1,2-diol107650-06-662 % similar 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1,2-undecanediol94159-84-962 % similar 1H,1H-Perfluoro-1-tetradecanol15622-57-850 % similar 1H,1H-Perfluorooctanol307-30-250 % similar 1H,1H-Perfluoro-1-decanol307-37-950 % similar 1H,1H-Perfluoroundecan-1-ol307-46-050 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-650 % similar 1H,1H-Perfluoro-1-nonanol423-56-350 % similar

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

Elsewhere

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