1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene

C24H28F4O — CID 58141211

IUPAC1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
SMILESCCOCc1ccc(C2CCC(CCc3ccc(C)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C24H28F4O/c1-3-29-14-19-12-13-20(24(28)23(19)27)17-9-5-16(6-10-17)7-11-18-8-4-15(2)21(25)22(18)26/h4,8,12-13,16-17H,3,5-7,9-11,14H2,1-2H3
InChIKeyPEDMPMLTQKWTGC-UHFFFAOYSA-N
MW408.48 g/mol
LogP6.99
Rot. Bonds7

About 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene

1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene (PubChem CID 58141211) has the molecular formula C24H28F4O and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
PubChem CID58141211
Molecular FormulaC24H28F4O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
SMILESCCOCc1ccc(C2CCC(CCc3ccc(C)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C24H28F4O/c1-3-29-14-19-12-13-20(24(28)23(19)27)17-9-5-16(6-10-17)7-11-18-8-4-15(2)21(25)22(18)26/h4,8,12-13,16-17H,3,5-7,9-11,14H2,1-2H3
InChIKeyPEDMPMLTQKWTGC-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856303
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
CID 58141163
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
1-[4-[2-[4-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]cyclohexyl]ethyl]-2,3-difluorophenyl]ethanol
CID 88857802
1-[4-[4-[2-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453582
1-butoxy-4-[4-[2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorobenzene
CID 89429702
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159331661
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-[2-[4-[2,3-difluoro-4-(4-prop-1-enylcyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 77470994
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946168

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The IUPAC name of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene (CID 58141211) is 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene is CCOCc1ccc(C2CCC(CCc3ccc(C)c(F)c3F)CC2)c(F)c1F.
What is the InChIKey of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The InChIKey is PEDMPMLTQKWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4O/c1-3-29-14-19-12-13-20(24(28)23(19)27)17-9-5-16(6-10-17)7-11-18-8-4-15(2)21(25)22(18)26/h4,8,12-13,16-17H,3,5-7,9-11,14H2,1-2H3.
What are the key properties of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene has a molecular weight of 408.48 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene is sourced from PubChem (CID 58141211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).