1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene

C24H37F — CID 19987921

IUPAC1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
SMILESCCCCCCCCCCC1CC=C(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C24H37F/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)15-16-23-17-19-24(25)20-18-23/h13,17-21H,2-12,14-16H2,1H3
InChIKeyAYWCDXFKFLJUJD-UHFFFAOYSA-N
MW344.56 g/mol
LogP8.02
Rot. Bonds12

About 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene

1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene (PubChem CID 19987921) has the molecular formula C24H37F and a molecular weight of 344.56 g/mol. Its IUPAC name is 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
PubChem CID19987921
Molecular FormulaC24H37F
Molecular Weight344.56 g/mol
Exact Mass344.29
IUPAC Name1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
SMILESCCCCCCCCCCC1CC=C(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C24H37F/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)15-16-23-17-19-24(25)20-18-23/h13,17-21H,2-12,14-16H2,1H3
InChIKeyAYWCDXFKFLJUJD-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.56
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
CID 67831361
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
2-fluoro-4-[2-(4-nonylcyclohexen-1-yl)ethyl]benzonitrile
CID 19987994
4-[2-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzonitrile
CID 19988290
1-ethyl-2-fluoro-4-[2-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzene
CID 19988134
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993
4-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-hexylbenzene
CID 19987960
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene (CID 19987921) is 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene is CCCCCCCCCCC1CC=C(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene?
The InChIKey is AYWCDXFKFLJUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F/c1-2-3-4-5-6-7-8-9-10-21-11-13-22(14-12-21)15-16-23-17-19-24(25)20-18-23/h13,17-21H,2-12,14-16H2,1H3.
What are the key properties of 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene?
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene has a molecular weight of 344.56 g/mol, XLogP of 8.02, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 19987921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).