cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

C32H51F — CID 91598886

IUPACcyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESC1CCC(C2CCCCC2)CC1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1F
InChIInChI=1S/C20H29F.C12H22/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5,8,13-14,16-18H,3-4,6-7,9-12H2,1-2H3;11-12H,1-10H2
InChIKeyBMBLDLBVLBLSSM-UHFFFAOYSA-N
MW454.76 g/mol
LogP10.38
Rot. Bonds3

About cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 91598886) has the molecular formula C32H51F and a molecular weight of 454.76 g/mol. Its IUPAC name is cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Namecyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
PubChem CID91598886
Molecular FormulaC32H51F
Molecular Weight454.76 g/mol
Exact Mass454.40
IUPAC Namecyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESC1CCC(C2CCCCC2)CC1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1F
InChIInChI=1S/C20H29F.C12H22/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5,8,13-14,16-18H,3-4,6-7,9-12H2,1-2H3;11-12H,1-10H2
InChIKeyBMBLDLBVLBLSSM-UHFFFAOYSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.76
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
CID 54260126
1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
CID 161434306
1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane
CID 143239765
4-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-2-fluoro-1-methylbenzene
CID 18656305
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 126651890
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 157199372
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076

Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 91598886) is cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is C1CCC(C2CCCCC2)CC1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1F.
What is the InChIKey of cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The InChIKey is BMBLDLBVLBLSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F.C12H22/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5,8,13-14,16-18H,3-4,6-7,9-12H2,1-2H3;11-12H,1-10H2.
What are the key properties of cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 454.76 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 91598886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).