4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene

C24H36F2 — CID 67831361

IUPAC4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
SMILESCCCCCCCCCCC1CC=C(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H36F2/c1-2-3-4-5-6-7-8-9-10-20-11-13-21(14-12-20)15-16-22-17-18-23(25)24(26)19-22/h13,17-20H,2-12,14-16H2,1H3
InChIKeyKTSFMYACDGENEU-UHFFFAOYSA-N
MW362.55 g/mol
LogP8.15
Rot. Bonds12

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

4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene (PubChem CID 67831361) has the molecular formula C24H36F2 and a molecular weight of 362.55 g/mol. Its IUPAC name is 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
PubChem CID67831361
Molecular FormulaC24H36F2
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene
SMILESCCCCCCCCCCC1CC=C(CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H36F2/c1-2-3-4-5-6-7-8-9-10-20-11-13-21(14-12-20)15-16-22-17-18-23(25)24(26)19-22/h13,17-20H,2-12,14-16H2,1H3
InChIKeyKTSFMYACDGENEU-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 58.15
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

2-fluoro-4-[2-(4-nonylcyclohexen-1-yl)ethyl]benzonitrile
CID 19987994
1-ethyl-2-fluoro-4-[2-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzene
CID 19988134
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
4-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-hexylbenzene
CID 19987960
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19987957
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]ethyl]benzonitrile
CID 19988187
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methoxybenzene
CID 19988191
4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
CID 19987944
4-[2-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzonitrile
CID 19988290

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene?
The IUPAC name of 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene (CID 67831361) is 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene is CCCCCCCCCCC1CC=C(CCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene?
The InChIKey is KTSFMYACDGENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2/c1-2-3-4-5-6-7-8-9-10-20-11-13-21(14-12-20)15-16-22-17-18-23(25)24(26)19-22/h13,17-20H,2-12,14-16H2,1H3.
What are the key properties of 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene?
4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene has a molecular weight of 362.55 g/mol, XLogP of 8.15, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-decylcyclohexen-1-yl)ethyl]-1,2-difluorobenzene is sourced from PubChem (CID 67831361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).