4,5-Difluoro-2-methylindole

C₉H₇F₂NCAS 85462-60-8167.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇F₂N
Molar mass: 167.16 g/mol
Exact mass: 167.0547 Da
logP: 2.75Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

85462-60-8

SMILES

CC1=CC2=C(N1)C=CC(=C2F)F

InChIKey

LTYZOUVRTGPHQM-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F2N/c1-5-4-6-8(12-5)3-2-7(10)9(6)11/h2-4,12H,1H3

Weigh it out

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Names and synonyms

1 names

4,5-Difluoro-2-methyl-1H-indole

Work with 4,5-Difluoro-2-methylindole

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-Fluoro-2-methyl-1H-indol-5-ol288385-88-665 % similar 4,5-Difluoro-1H-indole247564-63-247 % similar 6-Fluoro-2-methylquinolin-4-ol15912-68-246 % similar 5-Fluoro-2-methylindole399-72-444 % similar 4-Hydroxy-2-methylindole35320-67-343 % similar 2-Methyl-1H-indol-5-ol13314-85-741 % similar 4-Hydroxy-2-methylquinoline607-67-039 % similar 4-Amino-2-methylquinoline6628-04-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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