1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene

C25H30F2 — CID 126693080

IUPAC1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2F)CC1
InChIInChI=1S/C25H30F2/c1-17-7-9-20(10-8-17)22-15-16-23(25(27)24(22)26)21-13-11-19(12-14-21)18-5-3-2-4-6-18/h11-18,20H,2-10H2,1H3
InChIKeyBEXSPSLTOWUWFB-UHFFFAOYSA-N
MW368.51 g/mol
LogP7.97
Rot. Bonds3

About 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene

1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 126693080) has the molecular formula C25H30F2 and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
PubChem CID126693080
Molecular FormulaC25H30F2
Molecular Weight368.51 g/mol
Exact Mass368.23
IUPAC Name1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2F)CC1
InChIInChI=1S/C25H30F2/c1-17-7-9-20(10-8-17)22-15-16-23(25(27)24(22)26)21-13-11-19(12-14-21)18-5-3-2-4-6-18/h11-18,20H,2-10H2,1H3
InChIKeyBEXSPSLTOWUWFB-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
CID 159036951
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
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-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-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
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-1,4-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene (CID 126693080) is 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene is CC1CCC(c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2F)CC1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is BEXSPSLTOWUWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2/c1-17-7-9-20(10-8-17)22-15-16-23(25(27)24(22)26)21-13-11-19(12-14-21)18-5-3-2-4-6-18/h11-18,20H,2-10H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 368.51 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 126693080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).