2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate

C162H304Cl6F14O10 — CID 162151866

About 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate

2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate (PubChem CID 162151866) has the molecular formula C162H304Cl6F14O10 and a molecular weight of 2890.89 g/mol. Its IUPAC name is 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate.

Molecular Properties

• Compound Name: 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate
• PubChem CID: 162151866
• Molecular Formula: C162H304Cl6F14O10
• Molecular Weight: 2890.89 g/mol
• Exact Mass: 2886.12
• IUPAC Name: 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate
• SMILES: CC1CC=C(C2CCC(C)C(Cl)C2F)CC1.CC1CC=C(C2CCC(C)C(F)C2Cl)CC1.CC1CC=C(C2CCC(C)C(F)C2F)CC1.CC1CC=C(C2CCC(C3CCC(C)C(Cl)C3F)CC2)CC1.CC1CC=C(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(CCC2CCC(C)C(Cl)C2F)CC1.CC1CCC(CCC2CCC(C)C(F)C2Cl)CC1.CC1CCC(CCC2CCC(C)C(F)C2Cl)CC1.CC1CCC(CCC2CCC(C)C(F)C2F)CC1.CC1CCC(CCC2CCC(C)C(F)C2F)CC1.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H32ClF.C20H32F2.3C16H28ClF.2C16H28F2.2C14H22ClF.C14H22F2.10H2O.7H2/c2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22;2*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)16(18)15(14)17;3*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-9-3-6-11(7-4-9)12-8-5-10(2)14(16)13(12)15;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;;;;;;;;;;;;;;;;;/h2*6,13-14,16-20H,3-5,7-12H2,1-2H3;5*11-16H,3-10H2,1-2H3;3*6,9-10,12-14H,3-5,7-8H2,1-2H3;10*1H2;7*1H
• InChIKey: OGBXYMGHBOXGTL-UHFFFAOYSA-N
• XLogP: 47.56
• TPSA: 315.00 Ų
• Rotatable Bonds: 22
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2890.89
LogP ≤ 5	47.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate?

The IUPAC name of 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate (CID 162151866) is 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate.

What is the SMILES notation for 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate?

The canonical SMILES for 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate is CC1CC=C(C2CCC(C)C(Cl)C2F)CC1.CC1CC=C(C2CCC(C)C(F)C2Cl)CC1.CC1CC=C(C2CCC(C)C(F)C2F)CC1.CC1CC=C(C2CCC(C3CCC(C)C(Cl)C3F)CC2)CC1.CC1CC=C(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(CCC2CCC(C)C(Cl)C2F)CC1.CC1CCC(CCC2CCC(C)C(F)C2Cl)CC1.CC1CCC(CCC2CCC(C)C(F)C2Cl)CC1.CC1CCC(CCC2CCC(C)C(F)C2F)CC1.CC1CCC(CCC2CCC(C)C(F)C2F)CC1.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate?

The InChIKey is OGBXYMGHBOXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClF.C20H32F2.3C16H28ClF.2C16H28F2.2C14H22ClF.C14H22F2.10H2O.7H2/c2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22;2*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)16(18)15(14)17;3*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-9-3-6-11(7-4-9)12-8-5-10(2)14(16)13(12)15;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;;;;;;;;;;;;;;;;;/h2*6,13-14,16-20H,3-5,7-12H2,1-2H3;5*11-16H,3-10H2,1-2H3;3*6,9-10,12-14H,3-5,7-8H2,1-2H3;10*1H2;7*1H.

What are the key properties of 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate?

2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate has a molecular weight of 2890.89 g/mol, XLogP of 47.56, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);2,3-difluoro-1-methyl-4-(4-methylcyclohexen-1-yl)cyclohexane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexen-1-yl)cyclohexyl]cyclohexane;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane);molecular hydrogen;decahydrate is sourced from PubChem (CID 162151866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).