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

C10H12FNCAS 298690-90-1165.21 g/mol

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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.

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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

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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 (S)-2-(3-Fluorophenyl)pyrrolidine920274-04-0

Elsewhere

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