4,5,6,7-Tetrafluoroindole

C8H3F4NCAS 16264-67-8189.11 g/mol

Open in Covalent MOL file
HNFFFF
Aryl halide

Properties

Molecular formula
C8H3F4N
Molar mass
189.11 g/mol
Exact mass
189.0202 Da
logP
2.72Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
16264-67-8
SMILES
C1=CNC2=C1C(=C(C(=C2F)F)F)F
InChIKey
DTNBMVQXEVNTLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F4N/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10/h1-2,13H

Weigh it out

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

Names and synonyms

1 names
  • 1H-Indole, 4,5,6,7-tetrafluoro-

Work with 4,5,6,7-Tetrafluoroindole

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

4,5-Difluoro-1H-indole247564-63-243 % similar 7-Bromo-4-fluoro-1H-indole292636-09-041 % similar 4-Fluoroindole387-43-935 % similar 7-Fluoro-1H-indole387-44-035 % similar 4,7-Dihydroxy-1,10-phenanthroline3922-40-534 % similar 8-Fluoro-4-hydroxyquinoline63010-71-934 % similar 4,6-Difluoroindole199526-97-133 % similar 5,7-Difluoro-1H-indole301856-25-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-3 2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-0 2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-1 3-Fluoro-5-(trifluoromethyl)benzonitrile149793-69-1 4-Fluoro-2-trifluoromethylbenzonitrile194853-86-6 3-Fluoro-4-(trifluoromethyl)benzonitrile231953-38-1 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-7 3-Cyano-4-fluorobenzotrifluoride4088-84-0

Elsewhere

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