bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene

C64H69F12N7O9 — CID 157273488

About bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene

bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (PubChem CID 157273488) has the molecular formula C64H69F12N7O9 and a molecular weight of 1308.27 g/mol. Its IUPAC name is bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.

Molecular Properties

• Compound Name: bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
• PubChem CID: 157273488
• Molecular Formula: C64H69F12N7O9
• Molecular Weight: 1308.27 g/mol
• Exact Mass: 1307.50
• IUPAC Name: bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
• SMILES: CCO.CCOC(C)=O.FC(F)(F)c1n[nH]c2c1CC1CC21.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C2CC2C3)ccc1F.O=C1C(C(=O)C(F)(F)F)CC2CC12.O=C1CCC2CC12.OC1CCC2CC12
• InChI: InChI=1S/C30H23F6N5O2.C8H7F3N2.C8H7F3O2.C6H10O.C6H8O.C4H8O2.C2H6O/c31-17-6-14(7-18(32)12-17)8-24(26-19(2-1-5-38-26)15-3-4-23(33)21(9-15)29(37)43)39-25(42)13-41-27-20-10-16(20)11-22(27)28(40-41)30(34,35)36;9-8(10,11)7-5-2-3-1-4(3)6(5)12-13-7;9-8(10,11)7(13)5-2-3-1-4(3)6(5)12;2*7-6-2-1-4-3-5(4)6;1-3-6-4(2)5;1-2-3/h1-7,9,12,16,20,24H,8,10-11,13H2,(H2,37,43)(H,39,42);3-4H,1-2H2,(H,12,13);3-5H,1-2H2;4-7H,1-3H2;4-5H,1-3H2;3H2,1-2H3;3H,2H2,1H3/t16?,20?,24-;;;;;;/m0....../s1
• InChIKey: AYUVIYNEAHBUND-PBEOICLBSA-N
• XLogP: 11.00
• TPSA: 249.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1308.27
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?

The IUPAC name of bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (CID 157273488) is bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.

What is the SMILES notation for bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?

The canonical SMILES for bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is CCO.CCOC(C)=O.FC(F)(F)c1n[nH]c2c1CC1CC21.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C2CC2C3)ccc1F.O=C1C(C(=O)C(F)(F)F)CC2CC12.O=C1CCC2CC12.OC1CCC2CC12.

What is the InChIKey of bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?

The InChIKey is AYUVIYNEAHBUND-PBEOICLBSA-N. The full InChI is InChI=1S/C30H23F6N5O2.C8H7F3N2.C8H7F3O2.C6H10O.C6H8O.C4H8O2.C2H6O/c31-17-6-14(7-18(32)12-17)8-24(26-19(2-1-5-38-26)15-3-4-23(33)21(9-15)29(37)43)39-25(42)13-41-27-20-10-16(20)11-22(27)28(40-41)30(34,35)36;9-8(10,11)7-5-2-3-1-4(3)6(5)12-13-7;9-8(10,11)7(13)5-2-3-1-4(3)6(5)12;2*7-6-2-1-4-3-5(4)6;1-3-6-4(2)5;1-2-3/h1-7,9,12,16,20,24H,8,10-11,13H2,(H2,37,43)(H,39,42);3-4H,1-2H2,(H,12,13);3-5H,1-2H2;4-7H,1-3H2;4-5H,1-3H2;3H2,1-2H3;3H,2H2,1H3/t16?,20?,24-;;;;;;/m0....../s1.

What are the key properties of bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?

bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene has a molecular weight of 1308.27 g/mol, XLogP of 11.00, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[3.1.0]hexan-2-ol;bicyclo[3.1.0]hexan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethanol;ethyl acetate;3-(2,2,2-trifluoroacetyl)bicyclo[3.1.0]hexan-2-one;7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is sourced from PubChem (CID 157273488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).