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

C28H36F2 — CID 21265243

IUPAC2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CF)CC4)cc3)cc2F)CC1
InChIInChI=1S/C28H36F2/c1-2-3-20-4-10-25(11-5-20)27-17-16-26(18-28(27)30)24-14-12-23(13-15-24)22-8-6-21(19-29)7-9-22/h12-18,20-22,25H,2-11,19H2,1H3
InChIKeyUDDRMGRXBADAGG-UHFFFAOYSA-N
MW410.59 g/mol
LogP8.81
Rot. Bonds6

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

2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene (PubChem CID 21265243) has the molecular formula C28H36F2 and a molecular weight of 410.59 g/mol. Its IUPAC name is 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
PubChem CID21265243
Molecular FormulaC28H36F2
Molecular Weight410.59 g/mol
Exact Mass410.28
IUPAC Name2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CF)CC4)cc3)cc2F)CC1
InChIInChI=1S/C28H36F2/c1-2-3-20-4-10-25(11-5-20)27-17-16-26(18-28(27)30)24-14-12-23(13-15-24)22-8-6-21(19-29)7-9-22/h12-18,20-22,25H,2-11,19H2,1H3
InChIKeyUDDRMGRXBADAGG-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene
CID 21265203
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
CID 59938749
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
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-[3-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenyl]-5-propyl-1,3-dioxane
CID 70797487

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene (CID 21265243) is 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(-c3ccc(C4CCC(CF)CC4)cc3)cc2F)CC1.
What is the InChIKey of 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene?
The InChIKey is UDDRMGRXBADAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2/c1-2-3-20-4-10-25(11-5-20)27-17-16-26(18-28(27)30)24-14-12-23(13-15-24)22-8-6-21(19-29)7-9-22/h12-18,20-22,25H,2-11,19H2,1H3.
What are the key properties of 2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene?
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene has a molecular weight of 410.59 g/mol, XLogP of 8.81, 6 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-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 21265243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).