1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)

C20H19F4OY+2 — CID 18720934

IUPAC1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
SMILESCC1CCC(c2ccc(C(F)(F)Oc3cc(F)[c-]c(F)c3)cc2)CC1.[Y+3]
InChIInChI=1S/C20H19F4O.Y/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20(23,24)25-19-11-17(21)10-18(22)12-19;/h6-9,11-14H,2-5H2,1H3;/q-1;+3
InChIKeyGZZMXJGYSAKYRF-UHFFFAOYSA-N
MW440.27 g/mol
LogP6.18
Rot. Bonds4

About 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)

1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+) (PubChem CID 18720934) has the molecular formula C20H19F4OY+2 and a molecular weight of 440.27 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+).

Molecular Properties

Compound Name1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
PubChem CID18720934
Molecular FormulaC20H19F4OY+2
Molecular Weight440.27 g/mol
Exact Mass440.04
IUPAC Name1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
SMILESCC1CCC(c2ccc(C(F)(F)Oc3cc(F)[c-]c(F)c3)cc2)CC1.[Y+3]
InChIInChI=1S/C20H19F4O.Y/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20(23,24)25-19-11-17(21)10-18(22)12-19;/h6-9,11-14H,2-5H2,1H3;/q-1;+3
InChIKeyGZZMXJGYSAKYRF-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.27
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+) with MolForge

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Related Compounds

1-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
CID 18720922
1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720938
5-[difluoro-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 145464058
2-chloro-5-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]-1,3-difluorobenzene
CID 162547269
(3,5-difluorobenzene-4-id-1-yl) 4-(4-methylcyclohexyl)benzoate;yttrium(3+)
CID 18720762
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
5-[[4-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 70173191
1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 135223756
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
difluoro-[4-(4-methylcyclohexyl)phenyl]methanol
CID 70852484
4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol
CID 121323745

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)?
The IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+) (CID 18720934) is 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+).
What is the SMILES notation for 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)?
The canonical SMILES for 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+) is CC1CCC(c2ccc(C(F)(F)Oc3cc(F)[c-]c(F)c3)cc2)CC1.[Y+3].
What is the InChIKey of 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)?
The InChIKey is GZZMXJGYSAKYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4O.Y/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20(23,24)25-19-11-17(21)10-18(22)12-19;/h6-9,11-14H,2-5H2,1H3;/q-1;+3.
What are the key properties of 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)?
1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+) has a molecular weight of 440.27 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+) is sourced from PubChem (CID 18720934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).