1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene

C22H24F4O — CID 58140713

IUPAC1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(c3ccc(CC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C22H24F4O/c1-3-13-9-10-16(20(24)19(13)23)14-5-7-15(8-6-14)17-11-12-18(27-4-2)22(26)21(17)25/h9-12,14-15H,3-8H2,1-2H3
InChIKeyZVYZYJDUBYFWSN-UHFFFAOYSA-N
MW380.43 g/mol
LogP6.65
Rot. Bonds5

About 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene

1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene (PubChem CID 58140713) has the molecular formula C22H24F4O and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
PubChem CID58140713
Molecular FormulaC22H24F4O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(c3ccc(CC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C22H24F4O/c1-3-13-9-10-16(20(24)19(13)23)14-5-7-15(8-6-14)17-11-12-18(27-4-2)22(26)21(17)25/h9-12,14-15H,3-8H2,1-2H3
InChIKeyZVYZYJDUBYFWSN-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexylidene]cyclohexyl]-2,3-difluorobenzene
CID 126501946
1-[2-(2,3-difluoro-4-iodophenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643391
1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
CID 58141128
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
1-[2-(2,3-difluoro-4-pentoxyphenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643372
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorophenoxy]methyl]-2,3-difluorophenol
CID 122643430
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene
CID 58141026
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene (CID 58140713) is 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene is CCOc1ccc(C2CCC(c3ccc(CC)c(F)c3F)CC2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene?
The InChIKey is ZVYZYJDUBYFWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4O/c1-3-13-9-10-16(20(24)19(13)23)14-5-7-15(8-6-14)17-11-12-18(27-4-2)22(26)21(17)25/h9-12,14-15H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene?
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene has a molecular weight of 380.43 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene is sourced from PubChem (CID 58140713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).