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

C30H34F2 — CID 129065276

IUPAC2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3F)cc2)cc1
InChIInChI=1S/C30H34F2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-20-19-27(29(31)30(28)32)25-13-9-22(6-4-2)10-14-25/h7-8,11-12,15-20,22,25H,3-6,9-10,13-14H2,1-2H3
InChIKeySAGOEBYLEBHNBC-UHFFFAOYSA-N
MW432.60 g/mol
LogP9.33
Rot. Bonds7

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

2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene (PubChem CID 129065276) has the molecular formula C30H34F2 and a molecular weight of 432.60 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
PubChem CID129065276
Molecular FormulaC30H34F2
Molecular Weight432.60 g/mol
Exact Mass432.26
IUPAC Name2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3F)cc2)cc1
InChIInChI=1S/C30H34F2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-20-19-27(29(31)30(28)32)25-13-9-22(6-4-2)10-14-25/h7-8,11-12,15-20,22,25H,3-6,9-10,13-14H2,1-2H3
InChIKeySAGOEBYLEBHNBC-UHFFFAOYSA-N
XLogP9.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.60
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
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-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858890
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-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331621
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene (CID 129065276) is 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3F)cc2)cc1.
What is the InChIKey of 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
The InChIKey is SAGOEBYLEBHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2/c1-3-5-21-7-11-23(12-8-21)24-15-17-26(18-16-24)28-20-19-27(29(31)30(28)32)25-13-9-22(6-4-2)10-14-25/h7-8,11-12,15-20,22,25H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene?
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene has a molecular weight of 432.60 g/mol, XLogP of 9.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 129065276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).