4,4-Difluoropiperidine

C₅H₉F₂NCAS 21987-29-1121.13 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₅H₉F₂N
Molar mass: 121.13 g/mol
Exact mass: 121.0703 Da
logP: 1.01Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

21987-29-1

SMILES

FC1(F)CCNCC1

InChIKey

MJOUJKDTBGXKIU-UHFFFAOYSA-N

InChI

InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2

Weigh it out

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

Names and synonyms

1 names

Piperidine, 4,4-difluoro-

Work with 4,4-Difluoropiperidine

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

4,4-Difluoropiperidine hydrochloride144230-52-482 % similar 4-(Trifluoromethyl)-4-piperidinol373603-69-143 % similar 1,4-Dioxa-8-azaspiro[4.5]decane177-11-736 % similar 4,4-Difluorocyclohexanone22515-18-035 % similar 4,4-Dihydroxypiperidine hydrochloride40064-34-435 % similar 4-(Trifluoromethyl)piperidine657-36-335 % similar 1,4,7-Triazacyclononane4730-54-533 % similar Polyethylenimine9002-98-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook