1,1,1-Trifluoro-3-iodopropane
Properties
- Molecular formula
- C3H4F3I
- Molar mass
- 223.96 g/mol
- Exact mass
- 223.9310 Da
- Boiling point
- 90 °C
- logP
- 2.37Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
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
460-37-7SMILES
FC(F)(F)CCIInChIKey
ULIYQAUQKZDZOX-UHFFFAOYSA-NInChI
InChI=1S/C3H4F3I/c4-3(5,6)1-2-7/h1-2H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Propane, 1,1,1-trifluoro-3-iodo-
- 3,3,3-Trifluoropropyl iodide
- 1-Iodo-3,3,3-trifluoropropane
- 3,3,3-Trifluoro-1-iodopropane
- 3-Iodo-1,1,1-trifluoropropane
- 1H,1H,2H,2H-Trifluoro-1-iodopropane
Work with 1,1,1-Trifluoro-3-iodopropane
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-Trifluoro-4-iodobutane461-17-667 % similar
3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane2681-00-748 % similar
1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-648 % similar
4-Iodo-2-trifluoromethyl-1,1,1,2-tetrafluorobutane99324-96-648 % similar
1,1,1-Trifluoro-2-iodoethane353-83-344 % similar
1,1,1,2,2,3,3-Heptafluoro-5-iodopentane1513-88-842 % similar
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-240 % similar
3,3,3-Trifluoro-1-propanol2240-88-240 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.