2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate

C138H274Cl4F16O15 — CID 167589976

About 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate

2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate (PubChem CID 167589976) has the molecular formula C138H274Cl4F16O15 and a molecular weight of 2619.47 g/mol. Its IUPAC name is 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate.

Molecular Properties

• Compound Name: 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate
• PubChem CID: 167589976
• Molecular Formula: C138H274Cl4F16O15
• Molecular Weight: 2619.47 g/mol
• Exact Mass: 2615.92
• IUPAC Name: 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate
• SMILES: CC1CCC(C2CCC(F)CC2)CC1.CC1CCC(CCC2CCC(C)C(Cl)C2F)CC1.CC1CCC(CCC2CCC(C)C(F)C2Cl)CC1.CC1CCC(CCC2CCC(C)C(F)C2F)CC1.COC1CCC(C(=O)F)C(F)C1F.COC1CCC(CCC2CCC(C)CC2)C(Cl)C1F.COC1CCC(CCC2CCC(C)CC2)C(F)C1Cl.COC1CCC(CCC2CCC(C)CC2)C(F)C1F.COC1CCC(OC2CCC(C3CCC(C)CC3)CC2)C(F)C1F.FCF.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H34F2O2.2C16H28ClFO.2C16H28ClF.C16H28F2O.C16H28F2.C13H23F.C8H11F3O2.CH2F2.8H2O.10H2/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)24-18-12-11-17(23-2)19(21)20(18)22;1-11-3-5-12(6-4-11)7-8-13-9-10-14(19-2)15(17)16(13)18;1-11-3-5-12(6-4-11)7-8-13-9-10-14(19-2)16(18)15(13)17;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)16(18)15(14)17;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-11-3-5-12(6-4-11)7-8-13-9-10-14(19-2)16(18)15(13)17;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-13-5-3-2-4(8(11)12)6(9)7(5)10;2-1-3;;;;;;;;;;;;;;;;;;/h13-20H,3-12H2,1-2H3;2*11-16H,3-10H2,1-2H3;2*11-16H,3-10H2,1-2H3;11-16H,3-10H2,1-2H3;11-16H,3-10H2,1-2H3;10-13H,2-9H2,1H3;4-7H,2-3H2,1H3;1H2;8*1H2;10*1H
• InChIKey: WCKZYXYQYOWBEF-UHFFFAOYSA-N
• XLogP: 39.02
• TPSA: 324.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2619.47
LogP ≤ 5	39.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate?

The IUPAC name of 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate (CID 167589976) is 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate.

What is the SMILES notation for 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate?

The canonical SMILES for 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate is CC1CCC(C2CCC(F)CC2)CC1.CC1CCC(CCC2CCC(C)C(Cl)C2F)CC1.CC1CCC(CCC2CCC(C)C(F)C2Cl)CC1.CC1CCC(CCC2CCC(C)C(F)C2F)CC1.COC1CCC(C(=O)F)C(F)C1F.COC1CCC(CCC2CCC(C)CC2)C(Cl)C1F.COC1CCC(CCC2CCC(C)CC2)C(F)C1Cl.COC1CCC(CCC2CCC(C)CC2)C(F)C1F.COC1CCC(OC2CCC(C3CCC(C)CC3)CC2)C(F)C1F.FCF.O.O.O.O.O.O.O.O.[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 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate?

The InChIKey is WCKZYXYQYOWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2O2.2C16H28ClFO.2C16H28ClF.C16H28F2O.C16H28F2.C13H23F.C8H11F3O2.CH2F2.8H2O.10H2/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)24-18-12-11-17(23-2)19(21)20(18)22;1-11-3-5-12(6-4-11)7-8-13-9-10-14(19-2)15(17)16(13)18;1-11-3-5-12(6-4-11)7-8-13-9-10-14(19-2)16(18)15(13)17;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)16(18)15(14)17;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-11-3-5-12(6-4-11)7-8-13-9-10-14(19-2)16(18)15(13)17;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-13-5-3-2-4(8(11)12)6(9)7(5)10;2-1-3;;;;;;;;;;;;;;;;;;/h13-20H,3-12H2,1-2H3;2*11-16H,3-10H2,1-2H3;2*11-16H,3-10H2,1-2H3;11-16H,3-10H2,1-2H3;11-16H,3-10H2,1-2H3;10-13H,2-9H2,1H3;4-7H,2-3H2,1H3;1H2;8*1H2;10*1H.

What are the key properties of 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate?

2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate has a molecular weight of 2619.47 g/mol, XLogP of 39.02, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;difluoromethane;2,3-difluoro-4-methoxycyclohexane-1-carbonyl fluoride;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]oxycyclohexane;2,3-difluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-fluoro-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;octahydrate is sourced from PubChem (CID 167589976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).