1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene

C26H24F4 — CID 58058568

IUPAC1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(C3CCC(Cc4cccc(F)c4F)CC3)cc2)c(F)c1F
InChIInChI=1S/C26H24F4/c1-16-5-14-22(26(30)24(16)28)20-12-10-19(11-13-20)18-8-6-17(7-9-18)15-21-3-2-4-23(27)25(21)29/h2-5,10-14,17-18H,6-9,15H2,1H3
InChIKeyFZDRYYCEAQJPTQ-UHFFFAOYSA-N
MW412.47 g/mol
LogP7.73
Rot. Bonds4

About 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene

1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene (PubChem CID 58058568) has the molecular formula C26H24F4 and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene
PubChem CID58058568
Molecular FormulaC26H24F4
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(C3CCC(Cc4cccc(F)c4F)CC3)cc2)c(F)c1F
InChIInChI=1S/C26H24F4/c1-16-5-14-22(26(30)24(16)28)20-12-10-19(11-13-20)18-8-6-17(7-9-18)15-21-3-2-4-23(27)25(21)29/h2-5,10-14,17-18H,6-9,15H2,1H3
InChIKeyFZDRYYCEAQJPTQ-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[4-[(2,3-difluorobenzene-4-id-1-yl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
CID 58058567
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene
CID 139452854
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159331661
2,3-difluoro-1-methyl-4-(4-propylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-propylphenyl)benzene
CID 159473916
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen
CID 158037623
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
CID 58058658
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 67730829

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene (CID 58058568) is 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene is Cc1ccc(-c2ccc(C3CCC(Cc4cccc(F)c4F)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is FZDRYYCEAQJPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4/c1-16-5-14-22(26(30)24(16)28)20-12-10-19(11-13-20)18-8-6-17(7-9-18)15-21-3-2-4-23(27)25(21)29/h2-5,10-14,17-18H,6-9,15H2,1H3.
What are the key properties of 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene?
1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 412.47 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2,3-difluorophenyl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 58058568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).