chempirical

3-Amino-2,4,5-trifluorobenzoic acid

C7H4F3NO2CAS 119385-80-7191.11 g/mol

Open in Covalent MOL file
FFNH2FOOH
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H4F3NO2
Molar mass
191.11 g/mol
Exact mass
191.0194 Da
logP
1.38Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
119385-80-7
SMILES
C1=C(C(=C(C(=C1F)F)N)F)C(=O)O
InChIKey
NVWVZPFPZJYLNK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,11H2,(H,12,13)

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

Work with 3-Amino-2,4,5-trifluorobenzoic acid

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

2,3,4,5-Tetrafluorobenzoic acid1201-31-669 % similar 3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-763 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-361 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-661 % similar 2,4,5-Trifluoro-3-methylbenzoic acid112822-85-261 % similar 2-Amino-3,5-difluorobenzoic acid126674-78-057 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-556 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-156 % similar

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

Same formula

5-(Trifluoromethyl)nicotinic acid131747-40-5 2-(Trifluoromethyl)isonicotinic acid131747-41-6 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-7 2-(Trifluoromethyl)nicotinic acid131747-43-8 3-Amino-2,5,6-trifluorobenzoic acid133622-65-8 6-Trifluoromethylnicotinic acid231291-22-8 2-Nitrobenzotrifluoride384-22-5 4-Nitrobenzotrifluoride402-54-0

Elsewhere

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