1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene

C23H33F — CID 57119018

IUPAC1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene
SMILESCCCC1CCC(C(CC2CC=CCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H33F/c1-2-6-18-9-11-20(12-10-18)23(17-19-7-4-3-5-8-19)21-13-15-22(24)16-14-21/h3-4,13-16,18-20,23H,2,5-12,17H2,1H3
InChIKeyYTYBRNMTSICYLP-UHFFFAOYSA-N
MW328.52 g/mol
LogP7.26
Rot. Bonds6

About 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene

1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene (PubChem CID 57119018) has the molecular formula C23H33F and a molecular weight of 328.52 g/mol. Its IUPAC name is 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene
PubChem CID57119018
Molecular FormulaC23H33F
Molecular Weight328.52 g/mol
Exact Mass328.26
IUPAC Name1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene
SMILESCCCC1CCC(C(CC2CC=CCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H33F/c1-2-6-18-9-11-20(12-10-18)23(17-19-7-4-3-5-8-19)21-13-15-22(24)16-14-21/h3-4,13-16,18-20,23H,2,5-12,17H2,1H3
InChIKeyYTYBRNMTSICYLP-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.52
LogP ≤ 57.26
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-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene (CID 57119018) is 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene is CCCC1CCC(C(CC2CC=CCC2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene?
The InChIKey is YTYBRNMTSICYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F/c1-2-6-18-9-11-20(12-10-18)23(17-19-7-4-3-5-8-19)21-13-15-22(24)16-14-21/h3-4,13-16,18-20,23H,2,5-12,17H2,1H3.
What are the key properties of 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene?
1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene has a molecular weight of 328.52 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 57119018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).