bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate

C120H236F16O10 — CID 162010835

IUPACbis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate
SMILESCC1CCC(C2CCC(C3CCC(C)C(F)C3F)C(F)C2F)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)C(F)C2F)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)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].[H][H]
InChIInChI=1S/2C20H32F4.4C20H34F2.10H2O.8H2/c2*1-11-3-6-13(7-4-11)14-9-10-16(20(24)18(14)22)15-8-5-12(2)17(21)19(15)23;4*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;;;;;;;;;;;;;;;;;;/h2*11-20H,3-10H2,1-2H3;4*13-20H,3-12H2,1-2H3;10*1H2;8*1H
InChIKeyGTKZPPUZWCHQAF-UHFFFAOYSA-N
MW2143.17 g/mol
LogP31.56
Rot. Bonds12

About bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate

bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate (PubChem CID 162010835) has the molecular formula C120H236F16O10 and a molecular weight of 2143.17 g/mol. Its IUPAC name is bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate.

Molecular Properties

Compound Namebis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate
PubChem CID162010835
Molecular FormulaC120H236F16O10
Molecular Weight2143.17 g/mol
Exact Mass2141.77
IUPAC Namebis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate
SMILESCC1CCC(C2CCC(C3CCC(C)C(F)C3F)C(F)C2F)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)C(F)C2F)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)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].[H][H]
InChIInChI=1S/2C20H32F4.4C20H34F2.10H2O.8H2/c2*1-11-3-6-13(7-4-11)14-9-10-16(20(24)18(14)22)15-8-5-12(2)17(21)19(15)23;4*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;;;;;;;;;;;;;;;;;;/h2*11-20H,3-10H2,1-2H3;4*13-20H,3-12H2,1-2H3;10*1H2;8*1H
InChIKeyGTKZPPUZWCHQAF-UHFFFAOYSA-N
XLogP31.56
TPSA315.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002143.17
LogP ≤ 531.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate with MolForge

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Related Compounds

2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
2-(2,3-difluoro-4-methylcyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;trihydrate
CID 158616195
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;octahydrate
CID 160792991
1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 59348904
2,3-difluoro-1-(methoxymethyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;molecular hydrogen;hydrate
CID 160630512
1-[4-(2,3-difluoro-4-iodocyclohexyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 118103255
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylcyclohexane;molecular hydrogen;hydrate
CID 159079848
2,3-difluoro-1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 59866396
2,3-difluoro-1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylcyclohexane);methane;molecular hydrogen;tetrahydrate
CID 158108017
1-[4-(2-cyclohexylethenyl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 143932548
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622

Frequently Asked Questions

What is the IUPAC name of bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate?
The IUPAC name of bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate (CID 162010835) is bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate.
What is the SMILES notation for bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate?
The canonical SMILES for bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate is CC1CCC(C2CCC(C3CCC(C)C(F)C3F)C(F)C2F)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)C(F)C2F)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)C(F)C3F)CC2)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].[H][H].
What is the InChIKey of bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate?
The InChIKey is GTKZPPUZWCHQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32F4.4C20H34F2.10H2O.8H2/c2*1-11-3-6-13(7-4-11)14-9-10-16(20(24)18(14)22)15-8-5-12(2)17(21)19(15)23;4*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;;;;;;;;;;;;;;;;;;/h2*11-20H,3-10H2,1-2H3;4*13-20H,3-12H2,1-2H3;10*1H2;8*1H.
What are the key properties of bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate?
bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate has a molecular weight of 2143.17 g/mol, XLogP of 31.56, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate is sourced from PubChem (CID 162010835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).