6-(Trifluoromethyl)uracil

C5H3F3N2O2CAS 672-45-7180.09 g/mol

Open in Covalent MOL file
NHOHNOFFF
Alkyl halide

Properties

Molecular formula
C5H3F3N2O2
Molar mass
180.09 g/mol
Exact mass
180.0147 Da
logP
0.08Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
672-45-7
SMILES
C1=C(NC(=O)NC1=O)C(F)(F)F
InChIKey
IROWWTVZNHKLLE-UHFFFAOYSA-N
InChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)

Weigh it out

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

Work with 6-(Trifluoromethyl)uracil

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

2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-147 % similar 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-943 % similar 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-541 % similar 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-441 % similar 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol119022-51-439 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol122431-37-239 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-438 % similar 2,6-Bis(trifluoromethyl)-4-hydroxyquinoline35877-04-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-1 Trifluoromethyluracil54-20-6 2-(Trifluoromethyl)pyrimidine-4,6-diol672-47-9

Elsewhere

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