1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium

C21H28FY- — CID 59931312

IUPAC1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium
SMILESCC1CCC(/C=C/C2CCC(c3cc[c-]c(F)c3)CC2)CC1.[Y]
InChIInChI=1S/C21H28F.Y/c1-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)20-3-2-4-21(22)15-20;/h2-3,9-10,15-19H,5-8,11-14H2,1H3;/q-1;/b10-9+;
InChIKeyVKZROZYHTWYKOA-RRABGKBLSA-N
MW388.36 g/mol
LogP6.28
Rot. Bonds3

About 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium

1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium (PubChem CID 59931312) has the molecular formula C21H28FY- and a molecular weight of 388.36 g/mol. Its IUPAC name is 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium.

Molecular Properties

Compound Name1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium
PubChem CID59931312
Molecular FormulaC21H28FY-
Molecular Weight388.36 g/mol
Exact Mass388.12
IUPAC Name1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium
SMILESCC1CCC(/C=C/C2CCC(c3cc[c-]c(F)c3)CC2)CC1.[Y]
InChIInChI=1S/C21H28F.Y/c1-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)20-3-2-4-21(22)15-20;/h2-3,9-10,15-19H,5-8,11-14H2,1H3;/q-1;/b10-9+;
InChIKeyVKZROZYHTWYKOA-RRABGKBLSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.36
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-(4-methylcyclohexyl)benzene-6-ide;bis(yttrium)
CID 18720964
1,3-difluoro-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene-2-ide;1,3-difluoro-5-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-2-ide;1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene-2-ide;1-fluoro-3-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene-6-ide;1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene-6-ide;[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;decakis(yttrium)
CID 158211235
[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 18720884
(4-methylcyclohexyl)benzene;bis(yttrium)
CID 18720966
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720907
4-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]methoxy]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 122502192
2-fluoro-4-[4-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclohexyl]benzonitrile
CID 139629319
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium?
The IUPAC name of 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium (CID 59931312) is 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium.
What is the SMILES notation for 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium?
The canonical SMILES for 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium is CC1CCC(/C=C/C2CCC(c3cc[c-]c(F)c3)CC2)CC1.[Y].
What is the InChIKey of 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium?
The InChIKey is VKZROZYHTWYKOA-RRABGKBLSA-N. The full InChI is InChI=1S/C21H28F.Y/c1-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)20-3-2-4-21(22)15-20;/h2-3,9-10,15-19H,5-8,11-14H2,1H3;/q-1;/b10-9+;.
What are the key properties of 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium?
1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium has a molecular weight of 388.36 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium is sourced from PubChem (CID 59931312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).