1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)

C129H130F15O5Y6-3 — CID 161071149

IUPAC1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)
SMILESCC1CCC(C2CCC(COc3ccc(O)c(F)c3F)CC2)CC1.CC1CCC(C2CCC(c3cc[c-]c(F)c3F)CC2)CC1.CC1CCC(COc2ccc(O)c(F)c2F)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)c(F)c2F)CC1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(O)c(F)c2F)cc1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C25H16F4.C20H28F2O2.C19H25F2.C19H19F2.C19H14F.C14H18F2O2.C13H10F2O.6Y/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-11-21(22(26)12-19)20-13-23(27)25(29)24(28)14-20;1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)12-24-18-11-10-17(23)19(21)20(18)22;1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17-3-2-4-18(20)19(17)21;1-13-7-9-15(10-8-13)17-12-11-16(18(20)19(17)21)14-5-3-2-4-6-14;1-14-7-12-18(19(20)13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;1-9-2-4-10(5-3-9)8-18-12-7-6-11(17)13(15)14(12)16;1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14;;;;;;/h2-14H,1H3;10-11,13-16,23H,2-9,12H2,1H3;2-3,13-16H,5-12H2,1H3;3-6,11-13,15H,7-10H2,1H3;3-13H,1H3;6-7,9-10,17H,2-5,8H2,1H3;2-7,16H,1H3;;;;;;/q;;3*-1;;;;;;;;
InChIKeyKONBSETYKQKHLP-UHFFFAOYSA-N
MW2578.86 g/mol
LogP37.60
Rot. Bonds17

About 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)

1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium) (PubChem CID 161071149) has the molecular formula C129H130F15O5Y6-3 and a molecular weight of 2578.86 g/mol. Its IUPAC name is 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium).

Molecular Properties

Compound Name1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)
PubChem CID161071149
Molecular FormulaC129H130F15O5Y6-3
Molecular Weight2578.86 g/mol
Exact Mass2577.40
IUPAC Name1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)
SMILESCC1CCC(C2CCC(COc3ccc(O)c(F)c3F)CC2)CC1.CC1CCC(C2CCC(c3cc[c-]c(F)c3F)CC2)CC1.CC1CCC(COc2ccc(O)c(F)c2F)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)c(F)c2F)CC1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(O)c(F)c2F)cc1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C25H16F4.C20H28F2O2.C19H25F2.C19H19F2.C19H14F.C14H18F2O2.C13H10F2O.6Y/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-11-21(22(26)12-19)20-13-23(27)25(29)24(28)14-20;1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)12-24-18-11-10-17(23)19(21)20(18)22;1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17-3-2-4-18(20)19(17)21;1-13-7-9-15(10-8-13)17-12-11-16(18(20)19(17)21)14-5-3-2-4-6-14;1-14-7-12-18(19(20)13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;1-9-2-4-10(5-3-9)8-18-12-7-6-11(17)13(15)14(12)16;1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14;;;;;;/h2-14H,1H3;10-11,13-16,23H,2-9,12H2,1H3;2-3,13-16H,5-12H2,1H3;3-6,11-13,15H,7-10H2,1H3;3-13H,1H3;6-7,9-10,17H,2-5,8H2,1H3;2-7,16H,1H3;;;;;;/q;;3*-1;;;;;;;;
InChIKeyKONBSETYKQKHLP-UHFFFAOYSA-N
XLogP37.60
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002578.86
LogP ≤ 537.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium) with MolForge

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Related Compounds

1-cyclohexyl-4-methylcyclohexane;2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;2,3-difluoro-4-(4-methylphenyl)phenol;2,3-difluoro-1-(4-methylphenyl)-4-phenylbenzene;4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;4-(4-methylcyclohexyl)phenol;octakis(yttrium)
CID 162055480
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
CID 159840923
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;neodymium;niobium;hexakis(sodiosodium)
CID 159283283
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
CID 159036951
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-methoxybenzene
CID 70820671
1-cyclohexyl-4-methylcyclohexane;1-cyclohexyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-phenylbenzene;4-(4-methylcyclohexyl)phenol;tetrakis(yttrium)
CID 161196421
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-propoxybenzene
CID 67737810
4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol
CID 88893763
1-butoxy-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]benzene
CID 67737929

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)?
The IUPAC name of 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium) (CID 161071149) is 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium).
What is the SMILES notation for 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)?
The canonical SMILES for 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium) is CC1CCC(C2CCC(COc3ccc(O)c(F)c3F)CC2)CC1.CC1CCC(C2CCC(c3cc[c-]c(F)c3F)CC2)CC1.CC1CCC(COc2ccc(O)c(F)c2F)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)c(F)c2F)CC1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(O)c(F)c2F)cc1.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)?
The InChIKey is KONBSETYKQKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4.C20H28F2O2.C19H25F2.C19H19F2.C19H14F.C14H18F2O2.C13H10F2O.6Y/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-11-21(22(26)12-19)20-13-23(27)25(29)24(28)14-20;1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)12-24-18-11-10-17(23)19(21)20(18)22;1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17-3-2-4-18(20)19(17)21;1-13-7-9-15(10-8-13)17-12-11-16(18(20)19(17)21)14-5-3-2-4-6-14;1-14-7-12-18(19(20)13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;1-9-2-4-10(5-3-9)8-18-12-7-6-11(17)13(15)14(12)16;1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14;;;;;;/h2-14H,1H3;10-11,13-16,23H,2-9,12H2,1H3;2-3,13-16H,5-12H2,1H3;3-6,11-13,15H,7-10H2,1H3;3-13H,1H3;6-7,9-10,17H,2-5,8H2,1H3;2-7,16H,1H3;;;;;;/q;;3*-1;;;;;;;;.
What are the key properties of 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium)?
1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium) has a molecular weight of 2578.86 g/mol, XLogP of 37.60, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]benzene-6-ide;2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]phenol;2,3-difluoro-4-[(4-methylcyclohexyl)methoxy]phenol;2,3-difluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;2,3-difluoro-4-(4-methylphenyl)phenol;2-fluoro-4-methyl-1-(4-phenylphenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene;hexakis(yttrium) is sourced from PubChem (CID 161071149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).