N-(4-Fluorophenyl)pyrrole

C₁₀H₈FNCAS 81329-31-9161.18 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₀H₈FN
Molar mass: 161.18 g/mol
Exact mass: 161.0641 Da
logP: 2.62Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

81329-31-9

SMILES

C1=CN(C=C1)C2=CC=C(C=C2)F

InChIKey

YMAPGGZDHAHLGN-UHFFFAOYSA-N

InChI

InChI=1S/C10H8FN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

Weigh it out

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

Names and synonyms

1 names

1-(4-Fluorophenyl)pyrrole

Work with N-(4-Fluorophenyl)pyrrole

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

1-Phenylpyrrole635-90-555 % similar 1-(4-Fluorophenyl)imidazole21441-24-754 % similar 1-(4-Chlorophenyl)-1H-pyrrole5044-38-252 % similar 1-(4-Iodophenyl)pyrrole92636-36-752 % similar 1,4-Difluorobenzene540-36-347 % similar 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-146 % similar Fluorobenzene462-06-643 % similar 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Fluoro-2-methylquinoline1128-61-6 7-Fluoro-2-methylquinoline1128-74-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook