4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene

C34H45F — CID 88993446

IUPAC4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
SMILESC=CC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(CC)c(F)c5)CC4)CC3)cc2)CC1
InChIInChI=1S/C34H45F/c1-3-24-5-7-26(8-6-24)27-10-12-28(13-11-27)29-14-16-30(17-15-29)31-18-20-32(21-19-31)33-22-9-25(4-2)34(35)23-33/h3,9-13,22-24,26,29-32H,1,4-8,14-21H2,2H3
InChIKeySAGDMEJKFPBSLC-UHFFFAOYSA-N
MW472.73 g/mol
LogP10.10
Rot. Bonds6

About 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene

4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene (PubChem CID 88993446) has the molecular formula C34H45F and a molecular weight of 472.73 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
PubChem CID88993446
Molecular FormulaC34H45F
Molecular Weight472.73 g/mol
Exact Mass472.35
IUPAC Name4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
SMILESC=CC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(CC)c(F)c5)CC4)CC3)cc2)CC1
InChIInChI=1S/C34H45F/c1-3-24-5-7-26(8-6-24)27-10-12-28(13-11-27)29-14-16-30(17-15-29)31-18-20-32(21-19-31)33-22-9-25(4-2)34(35)23-33/h3,9-13,22-24,26,29-32H,1,4-8,14-21H2,2H3
InChIKeySAGDMEJKFPBSLC-UHFFFAOYSA-N
XLogP10.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.73
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 88993492
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 67737471
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 88993495
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
1-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 20621738
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 154607190
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
CID 161187621
(4aR,6R,8aR)-2-(3,4-difluorophenyl)-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809609
5-ethenyl-2-[4-[4-[2-[2-[4-[4-(5-ethenyl-1,3-dioxan-2-yl)cyclohexyl]-2-fluorophenyl]ethoxy]ethyl]-3-fluorophenyl]cyclohexyl]-1,3-dioxane
CID 140976217

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene?
The IUPAC name of 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene (CID 88993446) is 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene.
What is the SMILES notation for 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene?
The canonical SMILES for 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene is C=CC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(CC)c(F)c5)CC4)CC3)cc2)CC1.
What is the InChIKey of 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene?
The InChIKey is SAGDMEJKFPBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F/c1-3-24-5-7-26(8-6-24)27-10-12-28(13-11-27)29-14-16-30(17-15-29)31-18-20-32(21-19-31)33-22-9-25(4-2)34(35)23-33/h3,9-13,22-24,26,29-32H,1,4-8,14-21H2,2H3.
What are the key properties of 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene?
4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene has a molecular weight of 472.73 g/mol, XLogP of 10.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene is sourced from PubChem (CID 88993446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).