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

C35H40F4 — CID 67738107

IUPAC1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(CC)c(F)c5F)cc4)c(F)c3F)CC2)CC1
InChIInChI=1S/C35H40F4/c1-3-5-22-6-8-24(9-7-22)25-10-12-26(13-11-25)30-20-21-31(35(39)34(30)38)28-16-14-27(15-17-28)29-19-18-23(4-2)32(36)33(29)37/h14-22,24-26H,3-13H2,1-2H3
InChIKeyJORAUSDJOPTSFX-UHFFFAOYSA-N
MW536.70 g/mol
LogP11.02
Rot. Bonds7

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

1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene (PubChem CID 67738107) has the molecular formula C35H40F4 and a molecular weight of 536.70 g/mol. Its IUPAC name is 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
PubChem CID67738107
Molecular FormulaC35H40F4
Molecular Weight536.70 g/mol
Exact Mass536.31
IUPAC Name1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(CC)c(F)c5F)cc4)c(F)c3F)CC2)CC1
InChIInChI=1S/C35H40F4/c1-3-5-22-6-8-24(9-7-22)25-10-12-26(13-11-25)30-20-21-31(35(39)34(30)38)28-16-14-27(15-17-28)29-19-18-23(4-2)32(36)33(29)37/h14-22,24-26H,3-13H2,1-2H3
InChIKeyJORAUSDJOPTSFX-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene with MolForge

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Related Compounds

1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 67738437
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 67738242
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]benzene
CID 67737924
1-[4-[2-(4-ethyl-3-fluorophenyl)ethenyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470860
1-[4-[2,3-difluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 77345546
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738142
1-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738139
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2,3-difluorobenzene
CID 67738474

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene (CID 67738107) is 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene is CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(CC)c(F)c5F)cc4)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene?
The InChIKey is JORAUSDJOPTSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F4/c1-3-5-22-6-8-24(9-7-22)25-10-12-26(13-11-25)30-20-21-31(35(39)34(30)38)28-16-14-27(15-17-28)29-19-18-23(4-2)32(36)33(29)37/h14-22,24-26H,3-13H2,1-2H3.
What are the key properties of 1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene?
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene has a molecular weight of 536.70 g/mol, XLogP of 11.02, 7 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-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 67738107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).