About (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride (PubChem CID 161265060) has the molecular formula C49H42ClF12N5O7S2
and a molecular weight of 1140.47 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride.
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Frequently Asked Questions
What is the IUPAC name of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride?
The IUPAC name of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride (CID 161265060) is (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride is Cl.NCc1cc(F)cc(-c2ccc(C(F)(F)F)nc2)c1.O=C(CCc1cc(F)cc(-c2ccc(C(F)(F)F)nc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride?
The InChIKey is BKHKIBVTKUXITG-NWOPPMOSSA-N. The full InChI is InChI=1S/C25H20F6N2O3S.C13H10F4N2.C11H11F2NO4S.ClH/c26-18-3-5-21(6-4-18)37(35,36)33-14-20(28)12-22(33)23(34)7-1-15-9-17(11-19(27)10-15)16-2-8-24(32-13-16)25(29,30)31;14-11-4-8(6-18)3-10(5-11)9-1-2-12(19-7-9)13(15,16)17;12-7-1-3-9(4-2-7)19(17,18)14-6-8(13)5-10(14)11(15)16;/h2-6,8-11,13,20,22H,1,7,12,14H2;1-5,7H,6,18H2;1-4,8,10H,5-6H2,(H,15,16);1H/t20-,22+;;8-,10+;/m1.1./s1.
What are the key properties of (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride?
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride has a molecular weight of 1140.47 g/mol, XLogP of 10.15, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 161265060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).