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

C32H51F — CID 19988202

IUPAC1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
SMILESCCCCCCCCCCC1CCC(CCC2CC=C(CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C32H51F/c1-2-3-4-5-6-7-8-9-10-27-11-13-28(14-12-27)15-16-29-17-19-30(20-18-29)21-22-31-23-25-32(33)26-24-31/h19,23-29H,2-18,20-22H2,1H3
InChIKeyWTEUHNJIHATZCS-UHFFFAOYSA-N
MW454.76 g/mol
LogP10.60
Rot. Bonds15

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

1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene (PubChem CID 19988202) has the molecular formula C32H51F and a molecular weight of 454.76 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
PubChem CID19988202
Molecular FormulaC32H51F
Molecular Weight454.76 g/mol
Exact Mass454.40
IUPAC Name1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
SMILESCCCCCCCCCCC1CCC(CCC2CC=C(CCc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C32H51F/c1-2-3-4-5-6-7-8-9-10-27-11-13-28(14-12-27)15-16-29-17-19-30(20-18-29)21-22-31-23-25-32(33)26-24-31/h19,23-29H,2-18,20-22H2,1H3
InChIKeyWTEUHNJIHATZCS-UHFFFAOYSA-N
XLogP10.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.76
LogP ≤ 510.60
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-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
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
4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
CID 67831361
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-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
2-fluoro-4-[2-(4-nonylcyclohexen-1-yl)ethyl]benzonitrile
CID 19987994
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19987957

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene (CID 19988202) is 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene is CCCCCCCCCCC1CCC(CCC2CC=C(CCc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene?
The InChIKey is WTEUHNJIHATZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51F/c1-2-3-4-5-6-7-8-9-10-27-11-13-28(14-12-27)15-16-29-17-19-30(20-18-29)21-22-31-23-25-32(33)26-24-31/h19,23-29H,2-18,20-22H2,1H3.
What are the key properties of 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene?
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene has a molecular weight of 454.76 g/mol, XLogP of 10.60, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene is sourced from PubChem (CID 19988202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).