2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene

C54H84F2O — CID 140976267

IUPAC2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCC1CCC(C2CCC(CCc3ccc(CCOCCc4ccc(CCC5CCC(C6CCC(CCCCC)CC6)CC5)cc4F)c(F)c3)CC2)CC1
InChIInChI=1S/C54H84F2O/c1-3-5-7-9-41-15-25-47(26-16-41)49-29-19-43(20-30-49)11-13-45-23-33-51(53(55)39-45)35-37-57-38-36-52-34-24-46(40-54(52)56)14-12-44-21-31-50(32-22-44)48-27-17-42(18-28-48)10-8-6-4-2/h23-24,33-34,39-44,47-50H,3-22,25-32,35-38H2,1-2H3
InChIKeyWWNFCPOHUAKODR-UHFFFAOYSA-N
MW787.26 g/mol
LogP16.02
Rot. Bonds22

About 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene

2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 140976267) has the molecular formula C54H84F2O and a molecular weight of 787.26 g/mol. Its IUPAC name is 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID140976267
Molecular FormulaC54H84F2O
Molecular Weight787.26 g/mol
Exact Mass786.65
IUPAC Name2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCC1CCC(C2CCC(CCc3ccc(CCOCCc4ccc(CCC5CCC(C6CCC(CCCCC)CC6)CC5)cc4F)c(F)c3)CC2)CC1
InChIInChI=1S/C54H84F2O/c1-3-5-7-9-41-15-25-47(26-16-41)49-29-19-43(20-30-49)11-13-45-23-33-51(53(55)39-45)35-37-57-38-36-52-34-24-46(40-54(52)56)14-12-44-21-31-50(32-22-44)48-27-17-42(18-28-48)10-8-6-4-2/h23-24,33-34,39-44,47-50H,3-22,25-32,35-38H2,1-2H3
InChIKeyWWNFCPOHUAKODR-UHFFFAOYSA-N
XLogP16.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.26
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene with MolForge

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Related Compounds

2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 139711218
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2-fluorobenzonitrile
CID 67894337
2-[2-[2-[2,6-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]ethoxy]ethyl]-1,3-difluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 140976280
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
CID 23190634
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
1-[difluoro(trifluoromethoxy)methyl]-2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 90179533
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2,6-difluorobenzonitrile
CID 67895957
[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl] acetate
CID 54119401
2-methyl-1,4-bis[2-(4-nonylcyclohexyl)ethyl]benzene
CID 19008279
1-butoxy-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988273

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene (CID 140976267) is 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene is CCCCCC1CCC(C2CCC(CCc3ccc(CCOCCc4ccc(CCC5CCC(C6CCC(CCCCC)CC6)CC5)cc4F)c(F)c3)CC2)CC1.
What is the InChIKey of 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is WWNFCPOHUAKODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H84F2O/c1-3-5-7-9-41-15-25-47(26-16-41)49-29-19-43(20-30-49)11-13-45-23-33-51(53(55)39-45)35-37-57-38-36-52-34-24-46(40-54(52)56)14-12-44-21-31-50(32-22-44)48-27-17-42(18-28-48)10-8-6-4-2/h23-24,33-34,39-44,47-50H,3-22,25-32,35-38H2,1-2H3.
What are the key properties of 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene?
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 787.26 g/mol, XLogP of 16.02, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 140976267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).