6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol

C20H17F3O — CID 134473213

IUPAC6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol
SMILESC=CC1CCC(c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)CC1
InChIInChI=1S/C20H17F3O/c1-2-10-3-5-11(6-4-10)12-7-8-13-14-9-15(24)19(22)20(23)17(14)16(13)18(12)21/h2,7-11,24H,1,3-6H2
InChIKeyGWMQMYUIHQBAMM-UHFFFAOYSA-N
MW330.35 g/mol
LogP5.92
Rot. Bonds2

About 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol

6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol (PubChem CID 134473213) has the molecular formula C20H17F3O and a molecular weight of 330.35 g/mol. Its IUPAC name is 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol.

Molecular Properties

Compound Name6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol
PubChem CID134473213
Molecular FormulaC20H17F3O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol
SMILESC=CC1CCC(c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)CC1
InChIInChI=1S/C20H17F3O/c1-2-10-3-5-11(6-4-10)12-7-8-13-14-9-15(24)19(22)20(23)17(14)16(13)18(12)21/h2,7-11,24H,1,3-6H2
InChIKeyGWMQMYUIHQBAMM-UHFFFAOYSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(4-but-3-enylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol
CID 134473121
3-(4-but-3-enylcyclohexyl)-7-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2,8-trifluorobiphenylene
CID 134465180
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen
CID 158570343
2-[4-[4-[4-(4-ethenylcyclohexyl)-2,3-difluorophenyl]cyclohexyl]-2-fluorophenyl]oxirane
CID 88953262
1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 67730332
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
1-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene
CID 118592726
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161378
[4-[4-(4-ethenylcyclohexyl)-2,3-difluorophenyl]phenyl] 2,3-difluoro-4-(oxiran-2-yl)benzoate
CID 88964245
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730326

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol?
The IUPAC name of 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol (CID 134473213) is 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol.
What is the SMILES notation for 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol?
The canonical SMILES for 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol is C=CC1CCC(c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)CC1.
What is the InChIKey of 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol?
The InChIKey is GWMQMYUIHQBAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O/c1-2-10-3-5-11(6-4-10)12-7-8-13-14-9-15(24)19(22)20(23)17(14)16(13)18(12)21/h2,7-11,24H,1,3-6H2.
What are the key properties of 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol?
6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol has a molecular weight of 330.35 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenylcyclohexyl)-3,4,5-trifluorobiphenylen-2-ol is sourced from PubChem (CID 134473213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).