chempirical

5-Fluoroindoline

C8H8FNCAS 2343-22-8137.16 g/mol

Open in Covalent MOL file
HNF
Aryl halideSecondary amine

Properties

Molecular formula
C8H8FN
Molar mass
137.16 g/mol
Exact mass
137.0641 Da
logP
1.79Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2343-22-8
SMILES
C1CNC2=C1C=C(C=C2)F
InChIKey
NXQRMQIYCWFDGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2

Weigh it out

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

Work with 5-Fluoroindoline

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

5-Bromoindoline22190-33-655 % similar 5-Chloroindoline25658-80-455 % similar 5-(Trifluoromethyl)-2,3-dihydro-1H-indole162100-55-255 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-450 % similar Indoline496-15-148 % similar 5-Nitroindoline32692-19-646 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-444 % similar 6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-444 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook