2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene

C28H30F4 — CID 157170192

IUPAC2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)c(F)c2F)cc1.Cc1ccc(C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C14H18F2.C14H12F2/c2*1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h5,8-9,11H,3-4,6-7H2,1-2H3;3-8H,1-2H3
InChIKeyANJJDEZRLYIHHO-UHFFFAOYSA-N
MW442.54 g/mol
LogP8.82
Rot. Bonds2

About 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene

2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene (PubChem CID 157170192) has the molecular formula C28H30F4 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
PubChem CID157170192
Molecular FormulaC28H30F4
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC Name2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)c(F)c2F)cc1.Cc1ccc(C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C14H18F2.C14H12F2/c2*1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h5,8-9,11H,3-4,6-7H2,1-2H3;3-8H,1-2H3
InChIKeyANJJDEZRLYIHHO-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
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
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 159164555
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
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
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

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene (CID 157170192) is 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(C)c(F)c2F)cc1.Cc1ccc(C2CCC(C)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene?
The InChIKey is ANJJDEZRLYIHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2.C14H12F2/c2*1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h5,8-9,11H,3-4,6-7H2,1-2H3;3-8H,1-2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene?
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene has a molecular weight of 442.54 g/mol, XLogP of 8.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 157170192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).