1,1,1,2,2,3,3-Heptafluoro-4-iodobutane

C₄H₂F₇ICAS 374-98-1309.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₂F₇I
Molar mass: 309.95 g/mol
Exact mass: 309.9089 Da
Density: 2.019 g/mL (at 25 °C)
Boiling point: 92 °C
logP: 3.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

374-98-1

SMILES

FC(F)(F)C(F)(F)C(F)(F)CI

InChIKey

AFHPVXVEXINDFS-UHFFFAOYSA-N

InChI

InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2

Weigh it out

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

Names and synonyms

4 names

Butane, 1,1,1,2,2,3,3-heptafluoro-4-iodo-
2,2,3,3,4,4,4-Heptafluoro-1-iodobutane
1-Iodo-2,2,3,3,4,4,4-heptafluorobutane
Heptafluorobutyl iodide

Work with 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane

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

1,1,1,2,2-Pentafluoro-3-iodopropane354-69-865 % similar 1,1,1,2,2,3,3-Heptafluoro-5-iodopentane1513-88-858 % similar 1,1,1,2,2,3,3,4-Octafluorobutane662-35-152 % similar 1,1,2,2,3,3,4,4-Octafluoro-5-iodopentane678-74-052 % similar 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-250 % similar 2,2,3,3,4,4,4-Heptafluorobutylamine374-99-250 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-950 % similar 1H,1H,7H-Dodecafluoroheptyl iodide376-32-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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