2-Amino-4'-fluorobenzophenone

C₁₃H₁₀FNOCAS 3800-06-4215.23 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₃H₁₀FNO
Molar mass: 215.23 g/mol
Exact mass: 215.0746 Da
Melting point: 127–128 °C
logP: 2.64Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3800-06-4

SMILES

Nc1ccccc1C(=O)c1ccc(F)cc1

InChIKey

FFFXIQFESQNINT-UHFFFAOYSA-N

InChI

InChI=1S/C13H10FNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2

Weigh it out

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

Names and synonyms

9 names

2′-Amino-4-fluorobenzophenone
Methanone, (2-aminophenyl)(4-fluorophenyl)-
Benzophenone, 2-amino-4′-fluoro-
(2-Aminophenyl)(4-fluorophenyl)methanone
o-(p-Fluorobenzoyl)aniline
2-Amino-4′-fluorobenzophenone
2-Aminophenyl 4-fluorophenyl ketone
4′-Fluoro-2-aminobenzophenone
2-(4-Fluorobenzoyl)aniline

Work with 2-Amino-4'-fluorobenzophenone

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-Aminobenzophenone2835-77-071 % similar 2-Amino-4'-bromobenzophenone1140-17-666 % similar 2-Amino-4′-chlorobenzophenone2894-51-166 % similar 2,4′-Difluorobenzophenone342-25-665 % similar 2-Chloro-4'-fluorobenzophenone1806-23-161 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-559 % similar 4-Fluorobenzophenone345-83-559 % similar 4,4′-Difluorobenzophenone345-92-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-[[(4-Fluorophenyl)imino]methyl]phenol3382-63-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook