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

C21H30FY+2 — CID 18720783

IUPAC1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)
SMILESCC1CCC(C2CCC(CCc3cc[c-]c(F)c3)CC2)CC1.[Y+3]
InChIInChI=1S/C21H30F.Y/c1-16-5-11-19(12-6-16)20-13-9-17(10-14-20)7-8-18-3-2-4-21(22)15-18;/h2-3,15-17,19-20H,5-14H2,1H3;/q-1;+3
InChIKeyVOKWFSQUDQFCTH-UHFFFAOYSA-N
MW390.38 g/mol
LogP6.19
Rot. Bonds4

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

1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+) (PubChem CID 18720783) has the molecular formula C21H30FY+2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+).

Molecular Properties

Compound Name1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)
PubChem CID18720783
Molecular FormulaC21H30FY+2
Molecular Weight390.38 g/mol
Exact Mass390.14
IUPAC Name1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)
SMILESCC1CCC(C2CCC(CCc3cc[c-]c(F)c3)CC2)CC1.[Y+3]
InChIInChI=1S/C21H30F.Y/c1-16-5-11-19(12-6-16)20-13-9-17(10-14-20)7-8-18-3-2-4-21(22)15-18;/h2-3,15-17,19-20H,5-14H2,1H3;/q-1;+3
InChIKeyVOKWFSQUDQFCTH-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.38
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)
CID 18720889
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
1,3-difluoro-5-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene-2-ide;yttrium(3+)
CID 18720734
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
CID 59931239
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium
CID 59931212
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium(3+)
CID 18720833
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)?
The IUPAC name of 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+) (CID 18720783) is 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+).
What is the SMILES notation for 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)?
The canonical SMILES for 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+) is CC1CCC(C2CCC(CCc3cc[c-]c(F)c3)CC2)CC1.[Y+3].
What is the InChIKey of 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)?
The InChIKey is VOKWFSQUDQFCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F.Y/c1-16-5-11-19(12-6-16)20-13-9-17(10-14-20)7-8-18-3-2-4-21(22)15-18;/h2-3,15-17,19-20H,5-14H2,1H3;/q-1;+3.
What are the key properties of 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+)?
1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+) has a molecular weight of 390.38 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene-6-ide;yttrium(3+) is sourced from PubChem (CID 18720783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).