1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

C24H34F4O2 — CID 18352363

IUPAC1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(C(F)(F)Oc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F4O2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)24(27,28)30-21-15-14-20(29-4-2)22(25)23(21)26/h14-19H,3-13H2,1-2H3
InChIKeyRJLLTYIRFTZBTL-UHFFFAOYSA-N
MW430.53 g/mol
LogP7.75
Rot. Bonds8

About 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (PubChem CID 18352363) has the molecular formula C24H34F4O2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
PubChem CID18352363
Molecular FormulaC24H34F4O2
Molecular Weight430.53 g/mol
Exact Mass430.25
IUPAC Name1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(C(F)(F)Oc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F4O2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)24(27,28)30-21-15-14-20(29-4-2)22(25)23(21)26/h14-19H,3-13H2,1-2H3
InChIKeyRJLLTYIRFTZBTL-UHFFFAOYSA-N
XLogP7.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
CID 21353205
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 134477175
1-[1,1-difluoro-3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]propoxy]-4-ethoxy-2,3-difluorobenzene
CID 59049009
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415
2-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorophenyl]-1,3-benzoxazole
CID 155665528
4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
CID 141298262
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967376
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-[difluoro-(4-pentylcyclohexyl)methoxy]-4-[7-[1-[7-[4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenoxy]heptoxy]-2,2,2-trifluoroethoxy]heptoxy]-2,3-difluorobenzene
CID 122542722

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (CID 18352363) is 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene is CCCC1CCC(C2CCC(C(F)(F)Oc3ccc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is RJLLTYIRFTZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F4O2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)24(27,28)30-21-15-14-20(29-4-2)22(25)23(21)26/h14-19H,3-13H2,1-2H3.
What are the key properties of 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 430.53 g/mol, XLogP of 7.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 18352363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).