4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

C20H26F2 — CID 23509160

IUPAC4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESC=CC1CCC(C2(c3ccc(F)c(F)c3)CCCCC2)CC1
InChIInChI=1S/C20H26F2/c1-2-15-6-8-16(9-7-15)20(12-4-3-5-13-20)17-10-11-18(21)19(22)14-17/h2,10-11,14-16H,1,3-9,12-13H2
InChIKeyONUJDONROGRANJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP6.16
Rot. Bonds3

About 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (PubChem CID 23509160) has the molecular formula C20H26F2 and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
PubChem CID23509160
Molecular FormulaC20H26F2
Molecular Weight304.42 g/mol
Exact Mass304.20
IUPAC Name4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESC=CC1CCC(C2(c3ccc(F)c(F)c3)CCCCC2)CC1
InChIInChI=1S/C20H26F2/c1-2-15-6-8-16(9-7-15)20(12-4-3-5-13-20)17-10-11-18(21)19(22)14-17/h2,10-11,14-16H,1,3-9,12-13H2
InChIKeyONUJDONROGRANJ-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 56.16
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 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (CID 23509160) is 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is C=CC1CCC(C2(c3ccc(F)c(F)c3)CCCCC2)CC1.
What is the InChIKey of 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The InChIKey is ONUJDONROGRANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2/c1-2-15-6-8-16(9-7-15)20(12-4-3-5-13-20)17-10-11-18(21)19(22)14-17/h2,10-11,14-16H,1,3-9,12-13H2.
What are the key properties of 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene has a molecular weight of 304.42 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 23509160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).