2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile

C9F3N3CAS 3638-97-9207.12 g/mol

Open in Covalent MOL file
NFNFNF
Aryl halideNitrile

Properties

Molecular formula
C9F3N3
Molar mass
207.12 g/mol
Exact mass
207.0044 Da
logP
1.72Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3638-97-9
SMILES
C(#N)C1=C(C(=C(C(=C1F)C#N)F)C#N)F
InChIKey
LWTFYBZNGZGGRD-UHFFFAOYSA-N
InChI
InChI=1S/C9F3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14

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Work with 2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile

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

2,4,5,6-Tetrafluoroisophthalonitrile2377-81-388 % similar Tetrafluoroterephthalonitrile1835-49-087 % similar Pentafluorobenzonitrile773-82-081 % similar 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-071 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-370 % similar 2,3,5,6-Tetrafluorobenzonitrile5216-17-165 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-062 % similar 2,3,6-Trifluorobenzonitrile136514-17-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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