cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

C27H37F7O4 — CID 88517900

About cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (PubChem CID 88517900) has the molecular formula C27H37F7O4 and a molecular weight of 558.58 g/mol. Its IUPAC name is cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.

Molecular Properties

• Compound Name: cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
• PubChem CID: 88517900
• Molecular Formula: C27H37F7O4
• Molecular Weight: 558.58 g/mol
• Exact Mass: 558.26
• IUPAC Name: cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
• SMILES: C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CC(F)C(O)C(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O)C[C@H]1O
• InChI: InChI=1S/C27H37F7O4/c1-14(11-21(28)23(37)25(38,26(29,30)31)27(32,33)34)19-8-9-20-16(5-4-10-24(19,20)3)6-7-17-12-18(35)13-22(36)15(17)2/h6-7,14,18-23,35-38H,2,4-5,8-13H2,1,3H3/b16-6?,17-7-/t14-,18-,19-,20?,21?,22-,23?,24-/m1/s1
• InChIKey: UKRUGBHVRIMLKO-KFNHKVLUSA-N
• XLogP: 5.71
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.58
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol?

The IUPAC name of cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CID 88517900) is cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.

What is the SMILES notation for cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol?

The canonical SMILES for cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol is C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CC(F)C(O)C(O)(C(F)(F)F)C(F)(F)F)C[C@@H](O)C[C@H]1O.

What is the InChIKey of cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol?

The InChIKey is UKRUGBHVRIMLKO-KFNHKVLUSA-N. The full InChI is InChI=1S/C27H37F7O4/c1-14(11-21(28)23(37)25(38,26(29,30)31)27(32,33)34)19-8-9-20-16(5-4-10-24(19,20)3)6-7-17-12-18(35)13-22(36)15(17)2/h6-7,14,18-23,35-38H,2,4-5,8-13H2,1,3H3/b16-6?,17-7-/t14-,18-,19-,20?,21?,22-,23?,24-/m1/s1.

What are the key properties of cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol?

cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol has a molecular weight of 558.58 g/mol, XLogP of 5.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3R,5Z)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-4,7,7,7-tetrafluoro-5,6-dihydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol is sourced from PubChem (CID 88517900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).