7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen

C179H284F16O17 — CID 159860631

About 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen

7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen (PubChem CID 159860631) has the molecular formula C179H284F16O17 and a molecular weight of 3012.19 g/mol. Its IUPAC name is 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen.

Molecular Properties

• Compound Name: 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen
• PubChem CID: 159860631
• Molecular Formula: C179H284F16O17
• Molecular Weight: 3012.19 g/mol
• Exact Mass: 3010.11
• IUPAC Name: 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen
• SMILES: C.C.C.C.CC1CCC(C(OO)c2cc3c(c(F)c2F)OC(C)CC3)CC1.CC1CCC(C2CCC(C(=O)Oc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.Cc1cc2c(c(F)c1F)OC(CCC1CCC(C)CC1)CC2.Cc1cc2c(c(F)c1F)OC(COC1CCC(C)CC1)CC2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H32F2O3.4C24H34F2O2.C19H26F2O.C18H24F2O3.C18H24F2O2.4CH4.13H2/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)24(27)29-20-13-19-8-5-15(2)28-23(19)22(26)21(20)25;4*1-15-3-8-18(9-4-15)19-11-6-17(7-12-19)14-27-21-13-20-10-5-16(2)28-24(20)23(26)22(21)25;1-12-3-5-14(6-4-12)7-9-16-10-8-15-11-13(2)17(20)18(21)19(15)22-16;1-10-3-6-12(7-4-10)17(23-21)14-9-13-8-5-11(2)22-18(13)16(20)15(14)19;1-11-3-6-14(7-4-11)21-10-15-8-5-13-9-12(2)16(19)17(20)18(13)22-15;;;;;;;;;;;;;;;;;/h13-18H,3-12H2,1-2H3;4*13,15-19H,3-12,14H2,1-2H3;11-12,14,16H,3-10H2,1-2H3;9-12,17,21H,3-8H2,1-2H3;9,11,14-15H,3-8,10H2,1-2H3;4*1H4;13*1H
• InChIKey: NRCCIMZTVVRPJL-UHFFFAOYSA-N
• XLogP: 53.89
• TPSA: 175.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3012.19
LogP ≤ 5	53.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen?

The IUPAC name of 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen (CID 159860631) is 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen.

What is the SMILES notation for 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen?

The canonical SMILES for 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen is C.C.C.C.CC1CCC(C(OO)c2cc3c(c(F)c2F)OC(C)CC3)CC1.CC1CCC(C2CCC(C(=O)Oc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.CC1CCC(C2CCC(COc3cc4c(c(F)c3F)OC(C)CC4)CC2)CC1.Cc1cc2c(c(F)c1F)OC(CCC1CCC(C)CC1)CC2.Cc1cc2c(c(F)c1F)OC(COC1CCC(C)CC1)CC2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen?

The InChIKey is NRCCIMZTVVRPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2O3.4C24H34F2O2.C19H26F2O.C18H24F2O3.C18H24F2O2.4CH4.13H2/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)24(27)29-20-13-19-8-5-15(2)28-23(19)22(26)21(20)25;4*1-15-3-8-18(9-4-15)19-11-6-17(7-12-19)14-27-21-13-20-10-5-16(2)28-24(20)23(26)22(21)25;1-12-3-5-14(6-4-12)7-9-16-10-8-15-11-13(2)17(20)18(21)19(15)22-16;1-10-3-6-12(7-4-10)17(23-21)14-9-13-8-5-11(2)22-18(13)16(20)15(14)19;1-11-3-6-14(7-4-11)21-10-15-8-5-13-9-12(2)16(19)17(20)18(13)22-15;;;;;;;;;;;;;;;;;/h13-18H,3-12H2,1-2H3;4*13,15-19H,3-12,14H2,1-2H3;11-12,14,16H,3-10H2,1-2H3;9-12,17,21H,3-8H2,1-2H3;9,11,14-15H,3-8,10H2,1-2H3;4*1H4;13*1H.

What are the key properties of 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen?

7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen has a molecular weight of 3012.19 g/mol, XLogP of 53.89, 28 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen is sourced from PubChem (CID 159860631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).