1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene

C22H22F4O2 — CID 67434469

IUPAC1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(COC=C3CCCCC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H22F4O2/c1-2-28-18-11-10-17(21(25)22(18)26)16-9-8-15(19(23)20(16)24)13-27-12-14-6-4-3-5-7-14/h8-12H,2-7,13H2,1H3
InChIKeyDMWYARYIEVBOOA-UHFFFAOYSA-N
MW394.41 g/mol
LogP6.67
Rot. Bonds6

About 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene

1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene (PubChem CID 67434469) has the molecular formula C22H22F4O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
PubChem CID67434469
Molecular FormulaC22H22F4O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(COC=C3CCCCC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H22F4O2/c1-2-28-18-11-10-17(21(25)22(18)26)16-9-8-15(19(23)20(16)24)13-27-12-14-6-4-3-5-7-14/h8-12H,2-7,13H2,1H3
InChIKeyDMWYARYIEVBOOA-UHFFFAOYSA-N
XLogP6.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[2,3-difluoro-4-[4-(methoxymethylidene)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67434471
1-[2,3-difluoro-4-(7-fluorohept-3-enyl)phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123767664
1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 118320421
1-(4-butoxyphenyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430437
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]oxymethyl]-2,3-difluorophenol
CID 88857177
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967533
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856330
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
1-[4-[4-[[2,3-difluoro-4-[(E)-pent-3-enyl]phenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856344
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056
1-[4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]oxymethyl]-2,3-difluorophenyl]propan-1-ol
CID 88857310
1-[4-[4-[[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]-2,3-difluorophenyl]methoxy]cyclohexyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453779

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
The IUPAC name of 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene (CID 67434469) is 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene is CCOc1ccc(-c2ccc(COC=C3CCCCC3)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
The InChIKey is DMWYARYIEVBOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4O2/c1-2-28-18-11-10-17(21(25)22(18)26)16-9-8-15(19(23)20(16)24)13-27-12-14-6-4-3-5-7-14/h8-12H,2-7,13H2,1H3.
What are the key properties of 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene has a molecular weight of 394.41 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene is sourced from PubChem (CID 67434469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).