Trifluoromethyluracil
Properties
- Molecular formula
- C5H3F3N2O2
- Molar mass
- 180.09 g/mol
- Exact mass
- 180.0147 Da
- Melting point
- 316 °C
- logP
- 0.91Crippen estimate
- Polar surface area
- 66.2 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed91.1% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
54-20-6SMILES
Oc1ncc(C(F)(F)F)c(O)n1InChIKey
LMNPKIOZMGYQIU-UHFFFAOYSA-NInChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 5-(Trifluoromethyl)uracil
- 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-
- Uracil, 5-(trifluoromethyl)-
- 5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
- Trifluorothymine
- NSC 73757
- 5-Trifluoromethyl-1H-pyrimidine-2,4-dione
- 5-(Trifluoromethyl)pyrimidine-2,4-diol
Work with Trifluoromethyluracil
Similar compounds
5-Fluorouracil51-21-852 % similar
Pyrimidine-2,4,5-triol20636-41-350 % similar
5-Chlorouracil1820-81-147 % similar
5-Bromouracil51-20-747 % similar
Thymine65-71-447 % similar
5-Iodouracil696-07-147 % similar
5-Aminouracil932-52-547 % similar
1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds