1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene

C28H28F4 — CID 67730623

IUPAC1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)CC1
InChIInChI=1S/C28H28F4/c1-3-4-18-6-8-19(9-7-18)23-15-16-24(28(32)27(23)31)21-12-10-20(11-13-21)22-14-5-17(2)25(29)26(22)30/h5,10-16,18-19H,3-4,6-9H2,1-2H3
InChIKeyVMGMKXBPPRGRRS-UHFFFAOYSA-N
MW440.52 g/mol
LogP8.96
Rot. Bonds5

About 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene

1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene (PubChem CID 67730623) has the molecular formula C28H28F4 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
PubChem CID67730623
Molecular FormulaC28H28F4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)CC1
InChIInChI=1S/C28H28F4/c1-3-4-18-6-8-19(9-7-18)23-15-16-24(28(32)27(23)31)21-12-10-20(11-13-21)22-14-5-17(2)25(29)26(22)30/h5,10-16,18-19H,3-4,6-9H2,1-2H3
InChIKeyVMGMKXBPPRGRRS-UHFFFAOYSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
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
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
2,3-difluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethenyl]phenyl]-4-(4-propylcyclohexyl)benzene
CID 77470859
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 67730829
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331621
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene (CID 67730623) is 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)CC1.
What is the InChIKey of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The InChIKey is VMGMKXBPPRGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4/c1-3-4-18-6-8-19(9-7-18)23-15-16-24(28(32)27(23)31)21-12-10-20(11-13-21)22-14-5-17(2)25(29)26(22)30/h5,10-16,18-19H,3-4,6-9H2,1-2H3.
What are the key properties of 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene has a molecular weight of 440.52 g/mol, XLogP of 8.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 67730623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).