2-Fluoroadenine

C₅H₄FN₅CAS 700-49-2153.12 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₄FN₅
Molar mass: 153.12 g/mol
Exact mass: 153.0451 Da
Melting point: above 350 °C (decomposes)
logP: 0.03Crippen estimate
Polar surface area: 80.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

700-49-2

SMILES

Nc1nc(F)[nH]c2ncnc1-2

InChIKey

WKMPTBDYDNUJLF-UHFFFAOYSA-N

InChI

InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)

Weigh it out

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

Names and synonyms

8 names

9H-Purin-6-amine, 2-fluoro-
Adenine, 2-fluoro-
1H-Purin-6-amine, 2-fluoro-
2-Fluoro-9H-purin-6-amine
2-Fluoro-6-aminopurine
NSC 27364
2-Fluoro-1H-purin-6-amine
2-Fluoro-7H-purin-6-amine

Work with 2-Fluoroadenine

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-Chloroadenine1839-18-561 % similar Isoguanine3373-53-359 % similar Adenine73-24-547 % similar Adenine hydrochloride2922-28-343 % similar 2,6-Diaminopurine1904-98-939 % similar 2,6-Dichloropurine5451-40-138 % similar Adenine sulfate321-30-237 % similar Adenine phosphate52175-10-737 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia