chempirical

3-Fluoro-4-(trifluoromethyl)benzylamine

C8H7F4NCAS 235106-09-9193.14 g/mol

Open in Covalent MOL file
NH2FFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C8H7F4N
Molar mass
193.14 g/mol
Exact mass
193.0515 Da
logP
2.30Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
235106-09-9
SMILES
C1=CC(=C(C=C1CN)F)C(F)(F)F
InChIKey
XYWYEOHNURYGGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2

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Work with 3-Fluoro-4-(trifluoromethyl)benzylamine

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

4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-764 % similar 3-Chloro-4-(trifluoromethyl)benzyl amine361393-93-362 % similar 3,4-Difluorobenzylamine72235-53-160 % similar 4-Chloro-3-(trifluoromethyl)benzylamine62039-92-357 % similar 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-155 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-355 % similar 2,4-Difluorobenzotrifluoride64248-61-953 % similar 3-Fluoro-4-methylbenzenemethanamine261951-67-153 % similar

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

Same formula

3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-4 2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-2 (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine202522-22-3 5-Fluoro-2-(trifluoromethyl)benzenemethanamine231291-14-8 2-Fluoro-4-(trifluoromethyl)benzylamine239087-05-9 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-0 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-0 [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-6

Elsewhere

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