1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene

C23H25F3O2 — CID 58141008

IUPAC1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
SMILESC=Cc1ccc(OCC2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F
InChIInChI=1S/C23H25F3O2/c1-3-16-9-10-18(13-20(16)24)28-14-15-5-7-17(8-6-15)19-11-12-21(27-4-2)23(26)22(19)25/h3,9-13,15,17H,1,4-8,14H2,2H3
InChIKeyHQPXIEAQJMPZFE-UHFFFAOYSA-N
MW390.45 g/mol
LogP6.50
Rot. Bonds7

About 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene

1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 58141008) has the molecular formula C23H25F3O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID58141008
Molecular FormulaC23H25F3O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
SMILESC=Cc1ccc(OCC2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F
InChIInChI=1S/C23H25F3O2/c1-3-16-9-10-18(13-20(16)24)28-14-15-5-7-17(8-6-15)19-11-12-21(27-4-2)23(26)22(19)25/h3,9-13,15,17H,1,4-8,14H2,2H3
InChIKeyHQPXIEAQJMPZFE-UHFFFAOYSA-N
XLogP6.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
CID 58141457
1-(4-butoxycyclohexyl)-2,3-difluoro-4-[4-[(3-fluoro-4-pent-4-enoxyphenoxy)methyl]cyclohexyl]benzene
CID 89430953
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
1-[4-[(4-but-3-enoxy-2-fluorophenoxy)methyl]cyclohexyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89431099
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
1-[4-(4-ethenyl-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 88997617
1-ethoxy-2,3-difluoro-4-[4-(3-fluoro-4-prop-1-enylphenyl)cyclohexyl]benzene
CID 76658371
1-(4-ethoxycyclohexyl)-2,3-difluoro-4-[[4-(3-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]methoxy]benzene
CID 89429785
2-[4-[4-[[4-(4-ethylcyclohexyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88963986
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-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxycyclohexyl)phenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89429969

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene (CID 58141008) is 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene is C=Cc1ccc(OCC2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F.
What is the InChIKey of 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is HQPXIEAQJMPZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3O2/c1-3-16-9-10-18(13-20(16)24)28-14-15-5-7-17(8-6-15)19-11-12-21(27-4-2)23(26)22(19)25/h3,9-13,15,17H,1,4-8,14H2,2H3.
What are the key properties of 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 390.45 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 58141008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).