73675 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 14 9 9 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 6 6 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 22 7 8 9 10 20 21 5 7 19 22 19 22 23 24 11 13 12 14 25 26 27 15 28 16 29 17 30 18 31 20 32 21 33 20 34 21 35 36 37 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 4 4 2 5.866 5.9706 7.4487 5 4 3.5 3 3.134 2.5 4.866 4 3.134 2 4.866 3.5 6.7796 4 2.5 6.9487 4.788 4.8395 3 2.38 3 2.597 2.19 5.403 4.62 2.597 1.38 5.403 3.81 6.9085 7.2009 0.2679 -3.732 3.732 0.7679 1.7625 1.1044 0.2679 -0.7321 1.134 0.2679 -1.232 1.134 -1.232 2 -2.232 2 -2.232 2.866 0.3612 -2.732 2.866 1.9704 -0.3147 0.8668 0.8879 0.2679 -0.3521 -0.9221 0.597 -0.9221 2 -2.542 2 -2.542 3.403 -0.2452 2.5368 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 8 8 9 9 11 12 13 14 15 16 17 18 5 19 22 19 22 11 13 12 14 15 16 17 18 20 21 20 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 333 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B018800000000000000000000000000016000000030600000000000000001D000001D1008000000080080300C771086081001A2002043240012000B3080800DC8000800888828228011108020002880000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FQKUGOMFVDPBIZ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.10033035 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H15F2N3Si Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.39 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.10033035 22 0 0 0 0 0 0 0 1 -1