About lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide
lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide (PubChem CID 157152088) has the molecular formula C93H100F21LiN12O17
and a molecular weight of 2063.79 g/mol. Its IUPAC name is lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide?
The IUPAC name of lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide (CID 157152088) is lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide.
What is the SMILES notation for lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide?
The canonical SMILES for lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide is CCOC(=O)C(F)(F)F.CCOC(=O)CCN.CCOC(=O)Cn1nc(C(F)(F)F)c2c1CC1CC21.CCOC(=O)Cn1nc2c(c1C(F)(F)F)C1CC1C2.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CC2CC32)ccc1F.O=C(O)Cn1nc(C(F)(F)F)c2c1CC1CC21.O=C1CC2CC2C1.O=C1CC2CC2C1C(=O)C(F)(F)F.OC1CC2CC2C1.[Li+].[OH-].
What is the InChIKey of lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide?
The InChIKey is ALJKJBRMTYZQIW-MXUXCLGVSA-M. The full InChI is InChI=1S/C30H23F6N5O2.2C12H13F3N2O2.C10H9F3N2O2.C8H7F3O2.C6H10O.C6H8O.C5H11NO2.C4H5F3O2.Li.H2O/c31-17-6-14(7-18(32)12-17)8-23(27-19(2-1-5-38-27)15-3-4-22(33)21(9-15)29(37)43)39-25(42)13-41-24-11-16-10-20(16)26(24)28(40-41)30(34,35)36;1-2-19-9(18)5-17-8-4-6-3-7(6)10(8)11(16-17)12(13,14)15;1-2-19-9(18)5-17-11(12(13,14)15)10-7-3-6(7)4-8(10)16-17;11-10(12,13)9-8-5-1-4(5)2-6(8)15(14-9)3-7(16)17;9-8(10,11)7(13)6-4-1-3(4)2-5(6)12;2*7-6-2-4-1-5(4)3-6;1-2-8-5(7)3-4-6;1-2-9-3(8)4(5,6)7;;/h1-7,9,12,16,20,23H,8,10-11,13H2,(H2,37,43)(H,39,42);2*6-7H,2-5H2,1H3;4-5H,1-3H2,(H,16,17);3-4,6H,1-2H2;4-7H,1-3H2;4-5H,1-3H2;2-4,6H2,1H3;2H2,1H3;;1H2/q;;;;;;;;;+1;/p-1/t16?,20?,23-;;;;;;;;;;/m0........../s1.
What are the key properties of lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide?
lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide has a molecular weight of 2063.79 g/mol, XLogP of 12.08, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bicyclo[3.1.0]hexan-3-ol;bicyclo[3.1.0]hexan-3-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetate;ethyl 2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetate;2-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-3-one;2-[9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;hydroxide is sourced from PubChem (CID 157152088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).