1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)

C20H21F2OY+2 — CID 18720938

IUPAC1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)
SMILESCC1CCC(c2ccc(C(F)(F)Oc3cc[c-]cc3)cc2)CC1.[Y+3]
InChIInChI=1S/C20H21F2O.Y/c1-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20(21,22)23-19-5-3-2-4-6-19;/h3-6,11-16H,7-10H2,1H3;/q-1;+3
InChIKeyCWLJCQVOHOMJJO-UHFFFAOYSA-N
MW404.29 g/mol
LogP5.91
Rot. Bonds4

About 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)

1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+) (PubChem CID 18720938) has the molecular formula C20H21F2OY+2 and a molecular weight of 404.29 g/mol. Its IUPAC name is 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+).

Molecular Properties

Compound Name1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)
PubChem CID18720938
Molecular FormulaC20H21F2OY+2
Molecular Weight404.29 g/mol
Exact Mass404.06
IUPAC Name1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)
SMILESCC1CCC(c2ccc(C(F)(F)Oc3cc[c-]cc3)cc2)CC1.[Y+3]
InChIInChI=1S/C20H21F2O.Y/c1-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20(21,22)23-19-5-3-2-4-6-19;/h3-6,11-16H,7-10H2,1H3;/q-1;+3
InChIKeyCWLJCQVOHOMJJO-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.29
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
CID 18720934
1-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
CID 18720922
(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720907
2-chloro-5-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]-1,3-difluorobenzene
CID 162547269
1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)
CID 18720903
(4-methylcyclohexyl)benzene;bis(yttrium)
CID 18720966
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
difluoro-[4-(4-methylcyclohexyl)phenyl]methanol
CID 70852484
5-[difluoro-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 145464058
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
CID 59940202

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)?
The IUPAC name of 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+) (CID 18720938) is 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+).
What is the SMILES notation for 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)?
The canonical SMILES for 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+) is CC1CCC(c2ccc(C(F)(F)Oc3cc[c-]cc3)cc2)CC1.[Y+3].
What is the InChIKey of 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)?
The InChIKey is CWLJCQVOHOMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2O.Y/c1-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20(21,22)23-19-5-3-2-4-6-19;/h3-6,11-16H,7-10H2,1H3;/q-1;+3.
What are the key properties of 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)?
1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+) has a molecular weight of 404.29 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+) is sourced from PubChem (CID 18720938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).