chempirical

(S)-2-(4-Fluorophenyl)pyrrolidine

C10H12FNCAS 298690-90-1165.21 g/mol

Open in Covalent MOL file
NHF
Aryl halideSecondary amine

Properties

Molecular formula
C10H12FN
Molar mass
165.21 g/mol
Exact mass
165.0954 Da
logP
2.25Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
298690-90-1
SMILES
C1C[C@H](NC1)C2=CC=C(C=C2)F
InChIKey
ZDCXMSDSTZZWAX-JTQLQIEISA-N
InChI
InChI=1S/C10H12FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2/t10-/m0/s1

Weigh it out

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

Work with (S)-2-(4-Fluorophenyl)pyrrolidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-2-(4-Fluorophenyl)pyrrolidine298690-89-8Enantiomer 2-(4-Fluorophenyl)pyrrolidine72216-06-9Stereo not defined

Similar compounds

2-Phenylpyrrolidine1006-64-062 % similar 2-(4-Bromophenyl)pyrrolidine383127-22-861 % similar 2-(4-Chlorophenyl)pyrrolidine38944-14-861 % similar 2-[4-(Trifluoromethyl)phenyl]pyrrolidine298690-84-361 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-458 % similar (2R)-2-(2,5-Difluorophenyl)pyrrolidine1218935-59-157 % similar 2-(4-Methoxy-phenyl)-pyrrolidine74190-66-256 % similar 2-Phenylpiperidine3466-80-655 % similar

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

Same formula

2-(3-Fluorophenyl)pyrrolidine298690-72-9 2-(2-Fluorophenyl)pyrrolidine72216-04-7 (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-9 (2S)-2-(3-Fluorophenyl)pyrrolidine920274-04-0

Elsewhere

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