1,1,1,2,2,3,3-Heptafluoro-5-iodopentane

C5H4F7ICAS 1513-88-8323.98 g/mol

Open in Covalent MOL file
IFFFFFFF
Alkyl halide

Properties

Molecular formula
C5H4F7I
Molar mass
323.98 g/mol
Exact mass
323.9246 Da
logP
3.64Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1513-88-8
SMILES
C(CI)C(C(C(F)(F)F)(F)F)(F)F
InChIKey
TZNRRNKRZXHADL-UHFFFAOYSA-N
InChI
InChI=1S/C5H4F7I/c6-3(7,1-2-13)4(8,9)5(10,11)12/h1-2H2

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

Names and synonyms

1 names
  • Alkyl iodides, C4-20, gamma-omega-perfluoro

Work with 1,1,1,2,2,3,3-Heptafluoro-5-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

1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-286 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-083 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-183 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-483 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane2681-00-776 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-668 % similar 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane374-98-158 % similar 3-(Perfluoropropyl)propanol679-02-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2-trifluoromethyl-1,1,1,2-tetrafluorobutane99324-96-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook