1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene

C18H24F2O2 — CID 118302717

IUPAC1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
SMILESC/C=C/COC1CCC(c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C18H24F2O2/c1-3-5-12-22-14-8-6-13(7-9-14)15-10-11-16(21-4-2)18(20)17(15)19/h3,5,10-11,13-14H,4,6-9,12H2,1-2H3/b5-3+
InChIKeyPZQASUXMDOILBD-HWKANZROSA-N
MW310.38 g/mol
LogP4.98
Rot. Bonds6

About 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene

1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 118302717) has the molecular formula C18H24F2O2 and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID118302717
Molecular FormulaC18H24F2O2
Molecular Weight310.38 g/mol
Exact Mass310.17
IUPAC Name1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
SMILESC/C=C/COC1CCC(c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C18H24F2O2/c1-3-5-12-22-14-8-6-13(7-9-14)15-10-11-16(21-4-2)18(20)17(15)19/h3,5,10-11,13-14H,4,6-9,12H2,1-2H3/b5-3+
InChIKeyPZQASUXMDOILBD-HWKANZROSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 134358461
1-ethoxy-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 160550252
1-[4-[2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730875
1-[4-[4-[2-[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 58453729
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-[4-[4-[(Z)-but-2-enyl]cyclohexyl]cyclohexyl]-2,3-difluoro-4-octoxybenzene
CID 134358437
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxycyclohexyl)phenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89429969
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
5-[4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 58021312
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene (CID 118302717) is 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene is C/C=C/COC1CCC(c2ccc(OCC)c(F)c2F)CC1.
What is the InChIKey of 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is PZQASUXMDOILBD-HWKANZROSA-N. The full InChI is InChI=1S/C18H24F2O2/c1-3-5-12-22-14-8-6-13(7-9-14)15-10-11-16(21-4-2)18(20)17(15)19/h3,5,10-11,13-14H,4,6-9,12H2,1-2H3/b5-3+.
What are the key properties of 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene?
1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 310.38 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 118302717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).