2-Fluoro-4-(trifluoromethyl)benzylamine

C8H7F4NCAS 239087-05-9193.14 g/mol

Open in Covalent MOL file
FFFFNH2
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

Danger
Corrosive (GHS05)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
239087-05-9
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)CN
InChIKey
MQTBAGAVFDZXKF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H,4,13H2

Weigh it out

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

Work with 2-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

2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-964 % similar 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-164 % similar 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-758 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar 2,4-Difluorobenzylamine72235-52-056 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-955 % similar 4-Bromo-2-fluorobenzenemethanamine112734-22-253 % similar 4-Chloro-2-fluorobenzylamine72235-57-553 % 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 3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-9 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-0 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-0 [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook