((3R,4S)-4-(3-Fluorophenyl)pyrrolidin-3-yl)methanol

C₁₁H₁₄FNOCAS 915390-10-2195.24 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Secondary amine

Properties

Molecular formula: C₁₁H₁₄FNO
Molar mass: 195.24 g/mol
Exact mass: 195.1059 Da
logP: 1.12Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: R, 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

915390-10-2

SMILES

C1[C@@H]([C@H](CN1)C2=CC(=CC=C2)F)CO

InChIKey

HOJIBLLFDVLDFW-MWLCHTKSSA-N

InChI

InChI=1S/C11H14FNO/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11-/m1/s1

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Work with ((3R,4S)-4-(3-Fluorophenyl)pyrrolidin-3-yl)methanol

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

((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol848307-24-466 % similar 3-Fluoro-alpha-methylbenzenemethanol402-63-140 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-940 % similar (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-940 % similar (S)-2-(3-Fluorophenyl)pyrrolidine920274-04-040 % similar 1-(Dichloromethyl)-3-fluorobenzene402-64-239 % similar β-Amino-3-fluorobenzenepropanoic acid117391-51-238 % similar (-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine105812-81-537 % similar

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

Same formula

4-(4-Fluorophenyl)piperidin-4-ol3888-65-1

Elsewhere

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