1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene

C20H28F2 — CID 91310918

IUPAC1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene
SMILESC=CC1CCC(c2ccc(C(C)CCCC)c(F)c2F)CC1
InChIInChI=1S/C20H28F2/c1-4-6-7-14(3)17-12-13-18(20(22)19(17)21)16-10-8-15(5-2)9-11-16/h5,12-16H,2,4,6-11H2,1,3H3
InChIKeyIJSUFELBGHFKGE-UHFFFAOYSA-N
MW306.44 g/mol
LogP6.72
Rot. Bonds6

About 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene

1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene (PubChem CID 91310918) has the molecular formula C20H28F2 and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene
PubChem CID91310918
Molecular FormulaC20H28F2
Molecular Weight306.44 g/mol
Exact Mass306.22
IUPAC Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene
SMILESC=CC1CCC(c2ccc(C(C)CCCC)c(F)c2F)CC1
InChIInChI=1S/C20H28F2/c1-4-6-7-14(3)17-12-13-18(20(22)19(17)21)16-10-8-15(5-2)9-11-16/h5,12-16H,2,4,6-11H2,1,3H3
InChIKeyIJSUFELBGHFKGE-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.44
LogP ≤ 56.72
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-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen
CID 158570343
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
1-butoxy-4-[4-[4-(4-ethenylcyclohexyl)but-3-enyl]cyclohexyl]-2,3-difluorobenzene
CID 58479557
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylheptyl)cyclohexyl]benzene
CID 121336050
5-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
CID 58021165
5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
CID 58021262
1-butoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-pentoxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]-4-propoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-heptoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-nonoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 157363341
1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 160538419
[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl] 4-ethenylcyclohexane-1-carboxylate
CID 149417043
3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
CID 139862965

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene (CID 91310918) is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene is C=CC1CCC(c2ccc(C(C)CCCC)c(F)c2F)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene?
The InChIKey is IJSUFELBGHFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2/c1-4-6-7-14(3)17-12-13-18(20(22)19(17)21)16-10-8-15(5-2)9-11-16/h5,12-16H,2,4,6-11H2,1,3H3.
What are the key properties of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene?
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene has a molecular weight of 306.44 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene is sourced from PubChem (CID 91310918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).