1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene

C28H43F — CID 19987957

IUPAC1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
SMILESCCCCc1ccc(CCC2=CCC(CCC3CCC(CC)CC3)CC2)cc1F
InChIInChI=1S/C28H43F/c1-3-5-6-27-20-19-26(21-28(27)29)18-17-25-15-13-24(14-16-25)12-11-23-9-7-22(4-2)8-10-23/h15,19-24H,3-14,16-18H2,1-2H3
InChIKeyPFHLWPASBWCIDM-UHFFFAOYSA-N
MW398.65 g/mol
LogP8.82
Rot. Bonds10

About 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene

1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene (PubChem CID 19987957) has the molecular formula C28H43F and a molecular weight of 398.65 g/mol. Its IUPAC name is 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
PubChem CID19987957
Molecular FormulaC28H43F
Molecular Weight398.65 g/mol
Exact Mass398.33
IUPAC Name1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
SMILESCCCCc1ccc(CCC2=CCC(CCC3CCC(CC)CC3)CC2)cc1F
InChIInChI=1S/C28H43F/c1-3-5-6-27-20-19-26(21-28(27)29)18-17-25-15-13-24(14-16-25)12-11-23-9-7-22(4-2)8-10-23/h15,19-24H,3-14,16-18H2,1-2H3
InChIKeyPFHLWPASBWCIDM-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.65
LogP ≤ 58.82
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-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-hexylbenzene
CID 19987960
1-ethyl-2-fluoro-4-[2-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzene
CID 19988134
1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19988165
4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
CID 19987944
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035
4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
CID 67831361
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
2-fluoro-4-[2-(4-nonylcyclohexen-1-yl)ethyl]benzonitrile
CID 19987994
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene?
The IUPAC name of 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene (CID 19987957) is 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene?
The canonical SMILES for 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene is CCCCc1ccc(CCC2=CCC(CCC3CCC(CC)CC3)CC2)cc1F.
What is the InChIKey of 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene?
The InChIKey is PFHLWPASBWCIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43F/c1-3-5-6-27-20-19-26(21-28(27)29)18-17-25-15-13-24(14-16-25)12-11-23-9-7-22(4-2)8-10-23/h15,19-24H,3-14,16-18H2,1-2H3.
What are the key properties of 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene?
1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene has a molecular weight of 398.65 g/mol, XLogP of 8.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene is sourced from PubChem (CID 19987957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).