deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate

C107H167FO12 — CID 157495439

About deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate

deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate (PubChem CID 157495439) has the molecular formula C107H167FO12 and a molecular weight of 1665.51 g/mol. Its IUPAC name is deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate
• PubChem CID: 157495439
• Molecular Formula: C107H167FO12
• Molecular Weight: 1665.51 g/mol
• Exact Mass: 1664.25
• IUPAC Name: deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate
• SMILES: CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](C)CCc2ccccc2)[C@H](C)C[C@@H]1O.CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](C)CCc2ccccc2)[C@H](O)C[C@@H]1C.C[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](C)C[C@H]1O.C[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1C.[2H]CF
• InChI: InChI=1S/2C28H44O3.2C25H38O3.CH3F/c1-21(2)31-28(30)15-11-6-5-10-14-26-25(23(4)20-27(26)29)19-17-22(3)16-18-24-12-8-7-9-13-24;1-21(2)31-28(30)15-11-6-5-10-14-25-23(4)20-27(29)26(25)19-17-22(3)16-18-24-12-8-7-9-13-24;1-19(14-16-21-10-6-5-7-11-21)15-17-22-20(2)18-24(26)23(22)12-8-3-4-9-13-25(27)28;1-19(14-16-21-10-6-5-7-11-21)15-17-23-22(20(2)18-24(23)26)12-8-3-4-9-13-25(27)28;1-2/h2*5,7-10,12-13,21-23,25-27,29H,6,11,14-20H2,1-4H3;2*3,5-8,10-11,19-20,22-24,26H,4,9,12-18H2,1-2H3,(H,27,28);1H3/b2*10-5-;2*8-3-;/t22-,23+,25-,26+,27-;22-,23-,25-,26+,27+;19-,20+,22-,23+,24-;19-,20-,22-,23+,24+;/m0000./s1/i;;;;1D
• InChIKey: BXTWPYLKMOBXEF-AZKMSZKCSA-N
• XLogP: 25.80
• TPSA: 208.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 50
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.51
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate?

The IUPAC name of deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate (CID 157495439) is deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate.

What is the SMILES notation for deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate?

The canonical SMILES for deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate is CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](C)CCc2ccccc2)[C@H](C)C[C@@H]1O.CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](C)CCc2ccccc2)[C@H](O)C[C@@H]1C.C[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](C)C[C@H]1O.C[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1C.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate?

The InChIKey is BXTWPYLKMOBXEF-AZKMSZKCSA-N. The full InChI is InChI=1S/2C28H44O3.2C25H38O3.CH3F/c1-21(2)31-28(30)15-11-6-5-10-14-26-25(23(4)20-27(26)29)19-17-22(3)16-18-24-12-8-7-9-13-24;1-21(2)31-28(30)15-11-6-5-10-14-25-23(4)20-27(29)26(25)19-17-22(3)16-18-24-12-8-7-9-13-24;1-19(14-16-21-10-6-5-7-11-21)15-17-22-20(2)18-24(26)23(22)12-8-3-4-9-13-25(27)28;1-19(14-16-21-10-6-5-7-11-21)15-17-23-22(20(2)18-24(23)26)12-8-3-4-9-13-25(27)28;1-2/h2*5,7-10,12-13,21-23,25-27,29H,6,11,14-20H2,1-4H3;2*3,5-8,10-11,19-20,22-24,26H,4,9,12-18H2,1-2H3,(H,27,28);1H3/b2*10-5-;2*8-3-;/t22-,23+,25-,26+,27-;22-,23-,25-,26+,27+;19-,20+,22-,23+,24-;19-,20-,22-,23+,24+;/m0000./s1/i;;;;1D.

What are the key properties of deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate?

deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate has a molecular weight of 1665.51 g/mol, XLogP of 25.80, 50 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;(Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate;propan-2-yl (Z)-7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 157495439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).