(9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane

C223H316Cl5F5 — CID 159291235

IUPAC(9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C12CCC(C1)[C@@H](c1ccccc1)C2.CC(C)C12CCC(C1)[C@@H](c1ccccc1Cl)C2.CC(C)C12CCC(C1)[C@@H](c1ccccc1F)C2.CC(C)[C@H]1C[C@@H](c2ccccc2)C2CC21.CC(C)[C@H]1C[C@@H](c2ccccc2Cl)C2CC21.CC(C)[C@H]1C[C@@H](c2ccccc2F)C2CC21.CC(C)[C@]12CCC[C@H](c3ccccc3Cl)C1C2.CC(C)[C@]12CCC[C@H](c3ccccc3F)C1C2.C[C@H]1CC2CC1[C@H](c1ccccc1)C2.C[C@H]1CC2CC1[C@H](c1ccccc1Cl)C2.C[C@H]1CC2CC1[C@H](c1ccccc1F)C2.C[C@H]1CC2CC1c1cccc(Cl)c12.C[C@H]1CC2CC1c1cccc(F)c12.C[C@H]1CC2CC1c1ccccc12
InChIInChI=1S/2C16H21Cl.2C16H21F.C16H22.C15H19Cl.C15H19F.C15H20.C14H17Cl.C14H17F.C14H18.C12H13Cl.C12H13F.C12H14.10C2H6/c1-11(2)16-9-5-7-12(14(16)10-16)13-6-3-4-8-15(13)17;1-11(2)16-8-7-12(9-16)14(10-16)13-5-3-4-6-15(13)17;1-11(2)16-9-5-7-12(14(16)10-16)13-6-3-4-8-15(13)17;1-11(2)16-8-7-12(9-16)14(10-16)13-5-3-4-6-15(13)17;1-12(2)16-9-8-14(10-16)15(11-16)13-6-4-3-5-7-13;2*1-9(2)11-7-12(14-8-13(11)14)10-5-3-4-6-15(10)16;1-10(2)12-8-13(15-9-14(12)15)11-6-4-3-5-7-11;2*1-9-6-10-7-12(9)13(8-10)11-4-2-3-5-14(11)15;1-10-7-11-8-13(10)14(9-11)12-5-3-2-4-6-12;2*1-7-5-8-6-10(7)9-3-2-4-11(13)12(8)9;1-8-6-9-7-12(8)11-5-3-2-4-10(9)11;10*1-2/h3-4,6,8,11-12,14H,5,7,9-10H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;3-4,6,8,11-12,14H,5,7,9-10H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;3-7,12,14-15H,8-11H2,1-2H3;2*3-6,9,11-14H,7-8H2,1-2H3;3-7,10,12-15H,8-9H2,1-2H3;2*2-5,9-10,12-13H,6-8H2,1H3;2-6,10-11,13-14H,7-9H2,1H3;2*2-4,7-8,10H,5-6H2,1H3;2-5,8-9,12H,6-7H2,1H3;10*1-2H3/t12-,14?,16-;12?,14-,16?;12-,14?,16-;12?,14-,16?;14?,15-,16?;2*11-,12+,13?,14?;12-,13+,14?,15?;2*9-,10?,12?,13-;10-,11?,13?,14-;2*7-,8?,10?;8-,9?,12?;;;;;;;;;;/m10101111000000........../s1
InChIKeyLADNNUACMMLWIL-GZAZZSQYSA-N
MW3269.24 g/mol
LogP70.95
Rot. Bonds19

About (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane

(9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 159291235) has the molecular formula C223H316Cl5F5 and a molecular weight of 3269.24 g/mol. Its IUPAC name is (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID159291235
Molecular FormulaC223H316Cl5F5
Molecular Weight3269.24 g/mol
Exact Mass3264.31
IUPAC Name(9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C12CCC(C1)[C@@H](c1ccccc1)C2.CC(C)C12CCC(C1)[C@@H](c1ccccc1Cl)C2.CC(C)C12CCC(C1)[C@@H](c1ccccc1F)C2.CC(C)[C@H]1C[C@@H](c2ccccc2)C2CC21.CC(C)[C@H]1C[C@@H](c2ccccc2Cl)C2CC21.CC(C)[C@H]1C[C@@H](c2ccccc2F)C2CC21.CC(C)[C@]12CCC[C@H](c3ccccc3Cl)C1C2.CC(C)[C@]12CCC[C@H](c3ccccc3F)C1C2.C[C@H]1CC2CC1[C@H](c1ccccc1)C2.C[C@H]1CC2CC1[C@H](c1ccccc1Cl)C2.C[C@H]1CC2CC1[C@H](c1ccccc1F)C2.C[C@H]1CC2CC1c1cccc(Cl)c12.C[C@H]1CC2CC1c1cccc(F)c12.C[C@H]1CC2CC1c1ccccc12
InChIInChI=1S/2C16H21Cl.2C16H21F.C16H22.C15H19Cl.C15H19F.C15H20.C14H17Cl.C14H17F.C14H18.C12H13Cl.C12H13F.C12H14.10C2H6/c1-11(2)16-9-5-7-12(14(16)10-16)13-6-3-4-8-15(13)17;1-11(2)16-8-7-12(9-16)14(10-16)13-5-3-4-6-15(13)17;1-11(2)16-9-5-7-12(14(16)10-16)13-6-3-4-8-15(13)17;1-11(2)16-8-7-12(9-16)14(10-16)13-5-3-4-6-15(13)17;1-12(2)16-9-8-14(10-16)15(11-16)13-6-4-3-5-7-13;2*1-9(2)11-7-12(14-8-13(11)14)10-5-3-4-6-15(10)16;1-10(2)12-8-13(15-9-14(12)15)11-6-4-3-5-7-11;2*1-9-6-10-7-12(9)13(8-10)11-4-2-3-5-14(11)15;1-10-7-11-8-13(10)14(9-11)12-5-3-2-4-6-12;2*1-7-5-8-6-10(7)9-3-2-4-11(13)12(8)9;1-8-6-9-7-12(8)11-5-3-2-4-10(9)11;10*1-2/h3-4,6,8,11-12,14H,5,7,9-10H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;3-4,6,8,11-12,14H,5,7,9-10H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;3-7,12,14-15H,8-11H2,1-2H3;2*3-6,9,11-14H,7-8H2,1-2H3;3-7,10,12-15H,8-9H2,1-2H3;2*2-5,9-10,12-13H,6-8H2,1H3;2-6,10-11,13-14H,7-9H2,1H3;2*2-4,7-8,10H,5-6H2,1H3;2-5,8-9,12H,6-7H2,1H3;10*1-2H3/t12-,14?,16-;12?,14-,16?;12-,14?,16-;12?,14-,16?;14?,15-,16?;2*11-,12+,13?,14?;12-,13+,14?,15?;2*9-,10?,12?,13-;10-,11?,13?,14-;2*7-,8?,10?;8-,9?,12?;;;;;;;;;;/m10101111000000........../s1
InChIKeyLADNNUACMMLWIL-GZAZZSQYSA-N
XLogP70.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms233
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003269.24
LogP ≤ 570.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane (CID 159291235) is (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C12CCC(C1)[C@@H](c1ccccc1)C2.CC(C)C12CCC(C1)[C@@H](c1ccccc1Cl)C2.CC(C)C12CCC(C1)[C@@H](c1ccccc1F)C2.CC(C)[C@H]1C[C@@H](c2ccccc2)C2CC21.CC(C)[C@H]1C[C@@H](c2ccccc2Cl)C2CC21.CC(C)[C@H]1C[C@@H](c2ccccc2F)C2CC21.CC(C)[C@]12CCC[C@H](c3ccccc3Cl)C1C2.CC(C)[C@]12CCC[C@H](c3ccccc3F)C1C2.C[C@H]1CC2CC1[C@H](c1ccccc1)C2.C[C@H]1CC2CC1[C@H](c1ccccc1Cl)C2.C[C@H]1CC2CC1[C@H](c1ccccc1F)C2.C[C@H]1CC2CC1c1cccc(Cl)c12.C[C@H]1CC2CC1c1cccc(F)c12.C[C@H]1CC2CC1c1ccccc12.
What is the InChIKey of (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is LADNNUACMMLWIL-GZAZZSQYSA-N. The full InChI is InChI=1S/2C16H21Cl.2C16H21F.C16H22.C15H19Cl.C15H19F.C15H20.C14H17Cl.C14H17F.C14H18.C12H13Cl.C12H13F.C12H14.10C2H6/c1-11(2)16-9-5-7-12(14(16)10-16)13-6-3-4-8-15(13)17;1-11(2)16-8-7-12(9-16)14(10-16)13-5-3-4-6-15(13)17;1-11(2)16-9-5-7-12(14(16)10-16)13-6-3-4-8-15(13)17;1-11(2)16-8-7-12(9-16)14(10-16)13-5-3-4-6-15(13)17;1-12(2)16-9-8-14(10-16)15(11-16)13-6-4-3-5-7-13;2*1-9(2)11-7-12(14-8-13(11)14)10-5-3-4-6-15(10)16;1-10(2)12-8-13(15-9-14(12)15)11-6-4-3-5-7-11;2*1-9-6-10-7-12(9)13(8-10)11-4-2-3-5-14(11)15;1-10-7-11-8-13(10)14(9-11)12-5-3-2-4-6-12;2*1-7-5-8-6-10(7)9-3-2-4-11(13)12(8)9;1-8-6-9-7-12(8)11-5-3-2-4-10(9)11;10*1-2/h3-4,6,8,11-12,14H,5,7,9-10H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;3-4,6,8,11-12,14H,5,7,9-10H2,1-2H3;3-6,11-12,14H,7-10H2,1-2H3;3-7,12,14-15H,8-11H2,1-2H3;2*3-6,9,11-14H,7-8H2,1-2H3;3-7,10,12-15H,8-9H2,1-2H3;2*2-5,9-10,12-13H,6-8H2,1H3;2-6,10-11,13-14H,7-9H2,1H3;2*2-4,7-8,10H,5-6H2,1H3;2-5,8-9,12H,6-7H2,1H3;10*1-2H3/t12-,14?,16-;12?,14-,16?;12-,14?,16-;12?,14-,16?;14?,15-,16?;2*11-,12+,13?,14?;12-,13+,14?,15?;2*9-,10?,12?,13-;10-,11?,13?,14-;2*7-,8?,10?;8-,9?,12?;;;;;;;;;;/m10101111000000........../s1.
What are the key properties of (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane?
(9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane has a molecular weight of 3269.24 g/mol, XLogP of 70.95, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-3-chloro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-chlorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-chlorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-chlorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;ethane;(9S)-3-fluoro-9-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;(2R,6S)-2-(2-fluorophenyl)-6-methylbicyclo[2.2.1]heptane;(1R,5S)-5-(2-fluorophenyl)-1-propan-2-ylbicyclo[4.1.0]heptane;(3S)-3-(2-fluorophenyl)-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-(2-fluorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane;(2S,6R)-2-methyl-6-phenylbicyclo[2.2.1]heptane;(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene;(3S)-3-phenyl-1-propan-2-ylbicyclo[2.2.1]heptane;(2R,4R)-2-phenyl-4-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 159291235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).