1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene

C24H35F — CID 57094577

IUPAC1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene
SMILESCCCCC1CCC(C(CC2CC=CCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H35F/c1-2-3-7-19-10-12-21(13-11-19)24(18-20-8-5-4-6-9-20)22-14-16-23(25)17-15-22/h4-5,14-17,19-21,24H,2-3,6-13,18H2,1H3
InChIKeyMCASGOZKWYLYBS-UHFFFAOYSA-N
MW342.54 g/mol
LogP7.65
Rot. Bonds7

About 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene

1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene (PubChem CID 57094577) has the molecular formula C24H35F and a molecular weight of 342.54 g/mol. Its IUPAC name is 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene
PubChem CID57094577
Molecular FormulaC24H35F
Molecular Weight342.54 g/mol
Exact Mass342.27
IUPAC Name1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene
SMILESCCCCC1CCC(C(CC2CC=CCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H35F/c1-2-3-7-19-10-12-21(13-11-19)24(18-20-8-5-4-6-9-20)22-14-16-23(25)17-15-22/h4-5,14-17,19-21,24H,2-3,6-13,18H2,1H3
InChIKeyMCASGOZKWYLYBS-UHFFFAOYSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene?
The IUPAC name of 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene (CID 57094577) is 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene?
The canonical SMILES for 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene is CCCCC1CCC(C(CC2CC=CCC2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene?
The InChIKey is MCASGOZKWYLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F/c1-2-3-7-19-10-12-21(13-11-19)24(18-20-8-5-4-6-9-20)22-14-16-23(25)17-15-22/h4-5,14-17,19-21,24H,2-3,6-13,18H2,1H3.
What are the key properties of 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene?
1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene has a molecular weight of 342.54 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-4-fluorobenzene is sourced from PubChem (CID 57094577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).