1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium

C22H29F4OYb- — CID 20625677

IUPAC1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium
SMILESCC1CCC(C(F)(F)OC2CCC(CCc3cc(F)[c-]c(F)c3)CC2)CC1.[Yb]
InChIInChI=1S/C22H29F4O.Yb/c1-15-2-8-18(9-3-15)22(25,26)27-21-10-6-16(7-11-21)4-5-17-12-19(23)14-20(24)13-17;/h12-13,15-16,18,21H,2-11H2,1H3;/q-1;
InChIKeyJAZNQPGPMJVCDE-UHFFFAOYSA-N
MW558.51 g/mol
LogP6.69
Rot. Bonds6

About 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium

1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium (PubChem CID 20625677) has the molecular formula C22H29F4OYb- and a molecular weight of 558.51 g/mol. Its IUPAC name is 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium.

Molecular Properties

Compound Name1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium
PubChem CID20625677
Molecular FormulaC22H29F4OYb-
Molecular Weight558.51 g/mol
Exact Mass559.15
IUPAC Name1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium
SMILESCC1CCC(C(F)(F)OC2CCC(CCc3cc(F)[c-]c(F)c3)CC2)CC1.[Yb]
InChIInChI=1S/C22H29F4O.Yb/c1-15-2-8-18(9-3-15)22(25,26)27-21-10-6-16(7-11-21)4-5-17-12-19(23)14-20(24)13-17;/h12-13,15-16,18,21H,2-11H2,1H3;/q-1;
InChIKeyJAZNQPGPMJVCDE-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.51
LogP ≤ 56.69
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-[2-[4-[Difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3-fluorobenzene-4-ide;ytterbium
CID 20625679
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane
CID 20705534
1-[(3E)-hexa-3,5-dienyl]-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 22915888
2,2-Difluoro-3-methyl-6-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]oxane
CID 54252028
2,2-Difluoro-3-methyl-6-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]oxane
CID 54280744
1-Hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 54338119
2,2-Difluoro-3-methyl-6-[4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]cyclohexyl]oxane
CID 54524393
1-[Difluoro-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
CID 58665405
1-Methyl-4-[3-[4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]oxypropyl]cyclohexane
CID 58665449
1-Methyl-4-[[4-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]oxymethyl]cyclohexane
CID 58665475
1-Methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
CID 58665509
1-Methyl-4-[4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexyl]cyclohexane
CID 58665528

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium?
The IUPAC name of 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium (CID 20625677) is 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium.
What is the SMILES notation for 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium?
The canonical SMILES for 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium is CC1CCC(C(F)(F)OC2CCC(CCc3cc(F)[c-]c(F)c3)CC2)CC1.[Yb].
What is the InChIKey of 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium?
The InChIKey is JAZNQPGPMJVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F4O.Yb/c1-15-2-8-18(9-3-15)22(25,26)27-21-10-6-16(7-11-21)4-5-17-12-19(23)14-20(24)13-17;/h12-13,15-16,18,21H,2-11H2,1H3;/q-1;.
What are the key properties of 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium?
1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium has a molecular weight of 558.51 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[difluoro-(4-methylcyclohexyl)methoxy]cyclohexyl]ethyl]-3,5-difluorobenzene-4-ide;ytterbium is sourced from PubChem (CID 20625677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).