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(4S)-3,3-difluoro-1-methylpiperidine-4-carboxylic acid

(4S)-3,3-difluoro-1-methylpiperidine-4-carboxylic acid

Formula: C7H11F2NO2

SMILES: CN1CC[C@@H](C(O)=O)C(F)(F)C1

IUPAC: (4S)-3,3-difluoro-1-methylpiperidine-4-carboxylic acid

InChI: InChI=1S/C7H11F2NO2/c1-10-3-2-5(6(11)12)7(8,9)4-10/h5H,2-4H2,1H3,(H,11,12)/t5-/m0/s1

Composition: C (46.93%), H (6.19%), F (21.21%), N (7.82%), O (17.86%)

Molar Mass: 179.167

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 179.075784924
Formal Charge 0
FSP3 0.86
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VTYCVNXPYQHNFB-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.28
Topological Polar Surface Area 40.54
Polarizability 14.63
Ring Count 1
Rotatable Bond Count 1

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Shanghai AQ BioPharma Co., Ltd.
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