2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium

C25H27F4Y- — CID 59931299

IUPAC2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
SMILESCC1CCC(C2CCC(c3cc(F)c(-c4cc(F)[c-]c(F)c4)c(F)c3)CC2)CC1.[Y]
InChIInChI=1S/C25H27F4.Y/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-12-23(28)25(24(29)13-19)20-10-21(26)14-22(27)11-20;/h10-13,15-18H,2-9H2,1H3;/q-1;
InChIKeyOSQJGSKXIZOKCN-UHFFFAOYSA-N
MW492.39 g/mol
LogP7.81
Rot. Bonds3

About 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium

2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium (PubChem CID 59931299) has the molecular formula C25H27F4Y- and a molecular weight of 492.39 g/mol. Its IUPAC name is 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium.

Molecular Properties

Compound Name2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
PubChem CID59931299
Molecular FormulaC25H27F4Y-
Molecular Weight492.39 g/mol
Exact Mass492.11
IUPAC Name2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
SMILESCC1CCC(C2CCC(c3cc(F)c(-c4cc(F)[c-]c(F)c4)c(F)c3)CC2)CC1.[Y]
InChIInChI=1S/C25H27F4.Y/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-12-23(28)25(24(29)13-19)20-10-21(26)14-22(27)11-20;/h10-13,15-18H,2-9H2,1H3;/q-1;
InChIKeyOSQJGSKXIZOKCN-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 57.81
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

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 122472506
1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene
CID 18720868
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium
CID 59931197
2-[4-(3,5-difluorophenyl)-3,5-difluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382914
1,3-difluoro-2-(3-fluorophenyl)-5-(4-methylcyclohexyl)benzene
CID 18720860
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium(3+)
CID 18720833
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144841355
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene
CID 163495624

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
The IUPAC name of 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium (CID 59931299) is 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium.
What is the SMILES notation for 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
The canonical SMILES for 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium is CC1CCC(C2CCC(c3cc(F)c(-c4cc(F)[c-]c(F)c4)c(F)c3)CC2)CC1.[Y].
What is the InChIKey of 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
The InChIKey is OSQJGSKXIZOKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4.Y/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-12-23(28)25(24(29)13-19)20-10-21(26)14-22(27)11-20;/h10-13,15-18H,2-9H2,1H3;/q-1;.
What are the key properties of 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium has a molecular weight of 492.39 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium is sourced from PubChem (CID 59931299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).