4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene

C20H28F2 — CID 155443324

IUPAC4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene
SMILESC=CC(CC)CCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H28F2/c1-3-15(4-2)6-5-7-16-8-10-17(11-9-16)18-12-13-19(21)20(22)14-18/h3,12-17H,1,4-11H2,2H3
InChIKeyXHVCEZLWHCCJJB-UHFFFAOYSA-N
MW306.44 g/mol
LogP6.62
Rot. Bonds7

About 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene

4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene (PubChem CID 155443324) has the molecular formula C20H28F2 and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene
PubChem CID155443324
Molecular FormulaC20H28F2
Molecular Weight306.44 g/mol
Exact Mass306.22
IUPAC Name4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene
SMILESC=CC(CC)CCCC1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H28F2/c1-3-15(4-2)6-5-7-16-8-10-17(11-9-16)18-12-13-19(21)20(22)14-18/h3,12-17H,1,4-11H2,2H3
InChIKeyXHVCEZLWHCCJJB-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.44
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
1,2-difluoro-4-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]benzene
CID 139724806
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
4-[4-[4-(3,6-dimethyloctyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 144971677
1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
CID 54333398
2-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]ethyl-ethylsilane
CID 137327778
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium
CID 163819599

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene (CID 155443324) is 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene is C=CC(CC)CCCC1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene?
The InChIKey is XHVCEZLWHCCJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2/c1-3-15(4-2)6-5-7-16-8-10-17(11-9-16)18-12-13-19(21)20(22)14-18/h3,12-17H,1,4-11H2,2H3.
What are the key properties of 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene?
4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene has a molecular weight of 306.44 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylhex-5-enyl)cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 155443324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).