Decafluoro-2-trifluoromethyl-2-iodopentane

C₆F₁₃ICAS 102780-88-1445.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆F₁₃I
Molar mass: 445.95 g/mol
Exact mass: 445.8837 Da
logP: 5.12Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

102780-88-1

SMILES

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

InChIKey

PCOHEQOCJXXENZ-UHFFFAOYSA-N

InChI

InChI=1S/C6F13I/c7-2(8,3(9,10)6(17,18)19)1(20,4(11,12)13)5(14,15)16

Weigh it out

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

Names and synonyms

1 names

1,1,1,2,2,3,3,5,5,5-Decafluoro-4-iodo-4-(trifluoromethyl)pentane

Work with Decafluoro-2-trifluoromethyl-2-iodopentane

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

Perfluorobutane355-25-956 % similar Perfluorooctane307-34-653 % similar Perfluorododecane307-59-553 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontafluorotetradecane307-62-053 % similar Perfluoroheptane335-57-953 % similar Perfluorohexane355-42-053 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Tetratriacontafluorohexadecane355-49-753 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Dotetracontafluoroeicosane37589-57-453 % similar

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

Same formula

Perfluorohexyl iodide355-43-1

Elsewhere

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