(2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate

C175H324Cl5F21O18 — CID 161470326

IUPAC(2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate
SMILESCC1CCC(C(=O)C2CCC(C)C(C(F)(F)F)C2F)CC1.CC1CCC(C(=O)C2CCC(C)C(F)C2C(F)(F)F)CC1.CC1CCC(C(=O)C2CCC(C)C(F)C2Cl)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(C(F)(F)F)C3F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(Cl)C3Cl)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(Cl)C3F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3C(F)(F)F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3Cl)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3F)CC2)CC1.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].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C22H34F4O.C21H34Cl2O.2C21H34ClFO.C21H34F2O.2C16H24F4O.C15H24ClFO.9H2O.15H2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(27)18-12-5-14(2)20(23)19(18)22(24,25)26;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(27)18-12-5-14(2)19(20(18)23)22(24,25)26;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)19(22)20(18)23;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)20(23)19(18)22;2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)19(22)20(18)23;1-9-3-6-11(7-4-9)15(21)12-8-5-10(2)14(17)13(12)16(18,19)20;1-9-3-6-11(7-4-9)15(21)12-8-5-10(2)13(14(12)17)16(18,19)20;1-9-3-6-11(7-4-9)15(18)12-8-5-10(2)14(17)13(12)16;;;;;;;;;;;;;;;;;;;;;;;;/h2*13-20H,3-12H2,1-2H3;4*13-20H,3-12H2,1-2H3;2*9-14H,3-8H2,1-2H3;9-14H,3-8H2,1-2H3;9*1H2;15*1H
InChIKeyQRQMBIYUAVEWAW-UHFFFAOYSA-N
MW3292.72 g/mol
LogP48.75
Rot. Bonds24

About (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate

(2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate (PubChem CID 161470326) has the molecular formula C175H324Cl5F21O18 and a molecular weight of 3292.72 g/mol. Its IUPAC name is (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate.

Molecular Properties

Compound Name(2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate
PubChem CID161470326
Molecular FormulaC175H324Cl5F21O18
Molecular Weight3292.72 g/mol
Exact Mass3288.25
IUPAC Name(2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate
SMILESCC1CCC(C(=O)C2CCC(C)C(C(F)(F)F)C2F)CC1.CC1CCC(C(=O)C2CCC(C)C(F)C2C(F)(F)F)CC1.CC1CCC(C(=O)C2CCC(C)C(F)C2Cl)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(C(F)(F)F)C3F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(Cl)C3Cl)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(Cl)C3F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3C(F)(F)F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3Cl)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3F)CC2)CC1.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].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C22H34F4O.C21H34Cl2O.2C21H34ClFO.C21H34F2O.2C16H24F4O.C15H24ClFO.9H2O.15H2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(27)18-12-5-14(2)20(23)19(18)22(24,25)26;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(27)18-12-5-14(2)19(20(18)23)22(24,25)26;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)19(22)20(18)23;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)20(23)19(18)22;2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)19(22)20(18)23;1-9-3-6-11(7-4-9)15(21)12-8-5-10(2)14(17)13(12)16(18,19)20;1-9-3-6-11(7-4-9)15(21)12-8-5-10(2)13(14(12)17)16(18,19)20;1-9-3-6-11(7-4-9)15(18)12-8-5-10(2)14(17)13(12)16;;;;;;;;;;;;;;;;;;;;;;;;/h2*13-20H,3-12H2,1-2H3;4*13-20H,3-12H2,1-2H3;2*9-14H,3-8H2,1-2H3;9-14H,3-8H2,1-2H3;9*1H2;15*1H
InChIKeyQRQMBIYUAVEWAW-UHFFFAOYSA-N
XLogP48.75
TPSA437.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms219
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003292.72
LogP ≤ 548.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate with MolForge

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Launch Full Analysis

Related Compounds

(2-chloro-3-fluoro-4-methylcyclohexyl)-[6-(4-methylcyclohexyl)oxan-3-yl]methanone
CID 158214164
[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[5-(5-methyl-1,3-dioxan-2-yl)oxan-2-yl]methanone
CID 159032163
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
(2-chloro-3-fluoro-4-methylcyclohexyl)-[5-(5-methyl-1,3-dioxan-2-yl)oxan-2-yl]methanone
CID 159032159
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
(2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone
CID 170378401
2,3-difluoro-1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylcyclohexane);methane;molecular hydrogen;tetrahydrate
CID 158108017
2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;molecular hydrogen;hydrate
CID 161225778
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
CID 59912966
(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone
CID 118883086
(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone
CID 107187037

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate?
The IUPAC name of (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate (CID 161470326) is (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate.
What is the SMILES notation for (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate?
The canonical SMILES for (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate is CC1CCC(C(=O)C2CCC(C)C(C(F)(F)F)C2F)CC1.CC1CCC(C(=O)C2CCC(C)C(F)C2C(F)(F)F)CC1.CC1CCC(C(=O)C2CCC(C)C(F)C2Cl)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(C(F)(F)F)C3F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(Cl)C3Cl)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(Cl)C3F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3C(F)(F)F)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3Cl)CC2)CC1.CC1CCC(C2CCC(C(=O)C3CCC(C)C(F)C3F)CC2)CC1.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].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate?
The InChIKey is QRQMBIYUAVEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H34F4O.C21H34Cl2O.2C21H34ClFO.C21H34F2O.2C16H24F4O.C15H24ClFO.9H2O.15H2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(27)18-12-5-14(2)20(23)19(18)22(24,25)26;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(27)18-12-5-14(2)19(20(18)23)22(24,25)26;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)19(22)20(18)23;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)20(23)19(18)22;2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24)18-12-5-14(2)19(22)20(18)23;1-9-3-6-11(7-4-9)15(21)12-8-5-10(2)14(17)13(12)16(18,19)20;1-9-3-6-11(7-4-9)15(21)12-8-5-10(2)13(14(12)17)16(18,19)20;1-9-3-6-11(7-4-9)15(18)12-8-5-10(2)14(17)13(12)16;;;;;;;;;;;;;;;;;;;;;;;;/h2*13-20H,3-12H2,1-2H3;4*13-20H,3-12H2,1-2H3;2*9-14H,3-8H2,1-2H3;9-14H,3-8H2,1-2H3;9*1H2;15*1H.
What are the key properties of (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate?
(2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate has a molecular weight of 3292.72 g/mol, XLogP of 48.75, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(3-chloro-2-fluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2-chloro-3-fluoro-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone;(2,3-dichloro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;(2,3-difluoro-4-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-[4-(4-methylcyclohexyl)cyclohexyl]methanone;[2-fluoro-4-methyl-3-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;[3-fluoro-4-methyl-2-(trifluoromethyl)cyclohexyl]-(4-methylcyclohexyl)methanone;molecular hydrogen;nonahydrate is sourced from PubChem (CID 161470326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).