6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane

C89H105F17O8S3 — CID 160973989

About 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane

6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane (PubChem CID 160973989) has the molecular formula C89H105F17O8S3 and a molecular weight of 1721.98 g/mol. Its IUPAC name is 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane.

Molecular Properties

• Compound Name: 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane
• PubChem CID: 160973989
• Molecular Formula: C89H105F17O8S3
• Molecular Weight: 1721.98 g/mol
• Exact Mass: 1720.67
• IUPAC Name: 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane
• SMILES: C.CCCC1CC=C(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3O)c(F)c2F)CC1.CCCC1CC=C(c2ccc3c(sc4c(F)c(OC(F)(F)F)ccc43)c2F)CC1.CCCCC(CC)COC(=O)CCS.CCCCC(CC)COC(=O)CCSc1c(-c2ccc(C3=CCC(CCC)CC3)c(F)c2F)ccc(OC(F)(F)F)c1F
• InChI: InChI=1S/C33H40F6O3S.C22H20F6O2.C22H19F5OS.C11H22O2S.CH4/c1-4-7-9-21(6-3)20-41-28(40)18-19-43-32-26(16-17-27(31(32)36)42-33(37,38)39)25-15-14-24(29(34)30(25)35)23-12-10-22(8-5-2)11-13-23;1-2-3-12-4-6-13(7-5-12)14-8-9-15(19(24)18(14)23)16-10-11-17(20(25)21(16)29)30-22(26,27)28;1-2-3-12-4-6-13(7-5-12)14-8-9-15-16-10-11-17(28-22(25,26)27)19(24)21(16)29-20(15)18(14)23;1-3-5-6-10(4-2)9-13-11(12)7-8-14;/h12,14-17,21-22H,4-11,13,18-20H2,1-3H3;6,8-12,29H,2-5,7H2,1H3;6,8-12H,2-5,7H2,1H3;10,14H,3-9H2,1-2H3;1H4
• InChIKey: SYPWCDKIXYFPJY-UHFFFAOYSA-N
• XLogP: 30.17
• TPSA: 100.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.98
LogP ≤ 5	30.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane?

The IUPAC name of 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane (CID 160973989) is 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane.

What is the SMILES notation for 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane?

The canonical SMILES for 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane is C.CCCC1CC=C(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3O)c(F)c2F)CC1.CCCC1CC=C(c2ccc3c(sc4c(F)c(OC(F)(F)F)ccc43)c2F)CC1.CCCCC(CC)COC(=O)CCS.CCCCC(CC)COC(=O)CCSc1c(-c2ccc(C3=CCC(CCC)CC3)c(F)c2F)ccc(OC(F)(F)F)c1F.

What is the InChIKey of 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane?

The InChIKey is SYPWCDKIXYFPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40F6O3S.C22H20F6O2.C22H19F5OS.C11H22O2S.CH4/c1-4-7-9-21(6-3)20-41-28(40)18-19-43-32-26(16-17-27(31(32)36)42-33(37,38)39)25-15-14-24(29(34)30(25)35)23-12-10-22(8-5-2)11-13-23;1-2-3-12-4-6-13(7-5-12)14-8-9-15(19(24)18(14)23)16-10-11-17(20(25)21(16)29)30-22(26,27)28;1-2-3-12-4-6-13(7-5-12)14-8-9-15-16-10-11-17(28-22(25,26)27)19(24)21(16)29-20(15)18(14)23;1-3-5-6-10(4-2)9-13-11(12)7-8-14;/h12,14-17,21-22H,4-11,13,18-20H2,1-3H3;6,8-12,29H,2-5,7H2,1H3;6,8-12H,2-5,7H2,1H3;10,14H,3-9H2,1-2H3;1H4.

What are the key properties of 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane?

6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane has a molecular weight of 1721.98 g/mol, XLogP of 30.17, 32 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenol;4,6-difluoro-3-(4-propylcyclohexen-1-yl)-7-(trifluoromethoxy)dibenzothiophene;2-ethylhexyl 3-[6-[2,3-difluoro-4-(4-propylcyclohexen-1-yl)phenyl]-2-fluoro-3-(trifluoromethoxy)phenyl]sulfanylpropanoate;2-ethylhexyl 3-sulfanylpropanoate;methane is sourced from PubChem (CID 160973989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).