4-Aminononafluorobiphenyl

C₁₂H₂F₉NCAS 969-25-5331.14 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₂H₂F₉N
Molar mass: 331.14 g/mol
Exact mass: 331.0044 Da
logP: 4.19Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% 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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

969-25-5

SMILES

C1(=C(C(=C(C(=C1F)F)N)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

InChIKey

DVKUPHGYOMHVDR-UHFFFAOYSA-N

InChI

InChI=1S/C12H2F9N/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H2

Weigh it out

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

Work with 4-Aminononafluorobiphenyl

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

4,4′-Diaminooctafluorobiphenyl1038-66-093 % similar Pentafluoroaniline771-60-880 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-675 % similar 2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-773 % similar Decafluorobiphenyl434-90-260 % similar 4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-955 % similar 2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride651-83-248 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-046 % similar

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

Elsewhere

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