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LGD-4033

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SKU: EX185187-10MG Category:
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CID

44137686
CAS

1165910-22-4
InChI

InChI=1S/C14H12F6N2O/c15-13(16, 17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18, 19)20/h3-4, 6, 11-12, 23H, 1-2, 5H2/t11-, 12-/m1/s1
InChIKey

OPSIVAKKLQRWKC-VXGBXAGGSA-N
Isomeric SMILES

C1C[C@@H](N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)[C@H](C(F)(F)F)O
Canonical SMILES

C1CC(N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)C(C(F)(F)F)O
IUPAC Name

4-[(2R)-2-[(1R)-2, 2, 2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular Formula

C14H12F6N2O
Molecular Weight

338.25
Monoisotopic Mass

338.08538198
Polar Area

47.3
Complexity

468
XLogP

3.7
Heavy Atom Count

23
Hydrogen Bond Donor Count

1
Hydrogen Bond Acceptor Count

9
Rotatable Bond Count

2
Physical Appearance

Clear Liquid
Stability

Room Temperature

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