1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene

C25H28F4 — CID 123193777

IUPAC1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
SMILESCC1CCC(c2ccc(-c3ccc(C4CCCCC4)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C25H28F4/c1-15-7-9-17(10-8-15)19-12-14-21(25(29)23(19)27)20-13-11-18(22(26)24(20)28)16-5-3-2-4-6-16/h11-17H,2-10H2,1H3
InChIKeyHBNQUSKFJUTMJG-UHFFFAOYSA-N
MW404.49 g/mol
LogP8.25
Rot. Bonds3

About 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene

1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene (PubChem CID 123193777) has the molecular formula C25H28F4 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
PubChem CID123193777
Molecular FormulaC25H28F4
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
SMILESCC1CCC(c2ccc(-c3ccc(C4CCCCC4)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C25H28F4/c1-15-7-9-17(10-8-15)19-12-14-21(25(29)23(19)27)20-13-11-18(22(26)24(20)28)16-5-3-2-4-6-16/h11-17H,2-10H2,1H3
InChIKeyHBNQUSKFJUTMJG-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene
CID 153380787
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane
CID 144602990
4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
CID 143909524
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene
CID 90437136
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
1-ethenyl-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 90893098
4-cyclohexyl-2,3-difluorophenol
CID 134218235

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene (CID 123193777) is 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene is CC1CCC(c2ccc(-c3ccc(C4CCCCC4)c(F)c3F)c(F)c2F)CC1.
What is the InChIKey of 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene?
The InChIKey is HBNQUSKFJUTMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4/c1-15-7-9-17(10-8-15)19-12-14-21(25(29)23(19)27)20-13-11-18(22(26)24(20)28)16-5-3-2-4-6-16/h11-17H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene?
1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene has a molecular weight of 404.49 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 123193777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).