1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene

C22H22F2 — CID 91062077

IUPAC1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene
SMILESC=Cc1ccc(-c2ccc(C3CCC(C=C)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H22F2/c1-3-15-5-7-17(8-6-15)18-9-11-19(12-10-18)20-14-13-16(4-2)21(23)22(20)24/h3-4,9-15,17H,1-2,5-8H2
InChIKeyICXZFBUOAZAZKN-UHFFFAOYSA-N
MW324.41 g/mol
LogP6.73
Rot. Bonds4

About 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene

1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene (PubChem CID 91062077) has the molecular formula C22H22F2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene
PubChem CID91062077
Molecular FormulaC22H22F2
Molecular Weight324.41 g/mol
Exact Mass324.17
IUPAC Name1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene
SMILESC=Cc1ccc(-c2ccc(C3CCC(C=C)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H22F2/c1-3-15-5-7-17(8-6-15)18-9-11-19(12-10-18)20-14-13-16(4-2)21(23)22(20)24/h3-4,9-15,17H,1-2,5-8H2
InChIKeyICXZFBUOAZAZKN-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.41
LogP ≤ 56.73
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

1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 118858832
1-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 20621738
1-[4-[4-(4-ethenylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-4-enylbenzene
CID 88998095
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157
2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867083
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 67737471
3-[4-(4-ethenylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139863852
1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 67730332
[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-methylbenzene;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
CID 161483988
2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene
CID 139856505

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene (CID 91062077) is 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene is C=Cc1ccc(-c2ccc(C3CCC(C=C)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene?
The InChIKey is ICXZFBUOAZAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2/c1-3-15-5-7-17(8-6-15)18-9-11-19(12-10-18)20-14-13-16(4-2)21(23)22(20)24/h3-4,9-15,17H,1-2,5-8H2.
What are the key properties of 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene?
1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene has a molecular weight of 324.41 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 91062077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).