2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene

C28H37F — CID 54571988

IUPAC2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)CC1
InChIInChI=1S/C28H37F/c1-3-4-21-7-11-25(12-8-21)27-18-17-26(19-28(27)29)24-15-13-23(14-16-24)22-9-5-20(2)6-10-22/h13-22,25H,3-12H2,1-2H3
InChIKeyZXYHOUBMWVIJHI-UHFFFAOYSA-N
MW392.60 g/mol
LogP8.86
Rot. Bonds5

About 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene

2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene (PubChem CID 54571988) has the molecular formula C28H37F and a molecular weight of 392.60 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
PubChem CID54571988
Molecular FormulaC28H37F
Molecular Weight392.60 g/mol
Exact Mass392.29
IUPAC Name2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)CC1
InChIInChI=1S/C28H37F/c1-3-4-21-7-11-25(12-8-21)27-18-17-26(19-28(27)29)24-15-13-23(14-16-24)22-9-5-20(2)6-10-22/h13-22,25H,3-12H2,1-2H3
InChIKeyZXYHOUBMWVIJHI-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane;propane
CID 145122108
2-fluoro-1-[4-(10-fluorodecyl)cyclohexyl]-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 21265179
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene (CID 54571988) is 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)CC1.
What is the InChIKey of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
The InChIKey is ZXYHOUBMWVIJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F/c1-3-4-21-7-11-25(12-8-21)27-18-17-26(19-28(27)29)24-15-13-23(14-16-24)22-9-5-20(2)6-10-22/h13-22,25H,3-12H2,1-2H3.
What are the key properties of 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene has a molecular weight of 392.60 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 54571988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).