chempirical

4-Iodo-2-trifluoromethyl-1,1,1,2-tetrafluorobutane

C5H4F7ICAS 99324-96-6323.98 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
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
99324-96-6
SMILES
C(CI)C(C(F)(F)F)(C(F)(F)F)F
InChIKey
NRVDKMYDLZBFEH-UHFFFAOYSA-N
InChI
InChI=1S/C5H4F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H2

Weigh it out

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

Names and synonyms

1 names
  • 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane

Work with 4-Iodo-2-trifluoromethyl-1,1,1,2-tetrafluorobutane

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-Pentafluoro-4-iodobutane40723-80-655 % similar 1,1,1-Trifluoro-3-iodopropane460-37-748 % similar 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-246 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-044 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-144 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-444 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane2681-00-742 % similar 1,1,1-Trifluoro-4-iodobutane461-17-638 % similar

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

Same formula

1,1,1,2,2,3,3-Heptafluoro-5-iodopentane1513-88-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook