1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene

C20H18F6O — CID 118320421

IUPAC1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(CCC=C(F)CCF)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H18F6O/c1-2-27-16-9-8-15(19(25)20(16)26)14-7-6-12(17(23)18(14)24)4-3-5-13(22)10-11-21/h5-9H,2-4,10-11H2,1H3
InChIKeyLIDFEWGCSJWNAR-UHFFFAOYSA-N
MW388.35 g/mol
LogP6.45
Rot. Bonds8

About 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene

1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene (PubChem CID 118320421) has the molecular formula C20H18F6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
PubChem CID118320421
Molecular FormulaC20H18F6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(CCC=C(F)CCF)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H18F6O/c1-2-27-16-9-8-15(19(25)20(16)26)14-7-6-12(17(23)18(14)24)4-3-5-13(22)10-11-21/h5-9H,2-4,10-11H2,1H3
InChIKeyLIDFEWGCSJWNAR-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,3-difluoro-4-(7-fluorohept-3-enyl)phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123767664
1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118316550
1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene
CID 118320446
1-ethoxy-2,3-difluoro-4-[2-[4-(5-fluorohex-4-enyl)phenyl]ethyl]benzene
CID 123410240
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065
1-[4-[4-[[2,3-difluoro-4-[(E)-pent-3-enyl]phenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856344
1-[3-(2,3-difluoro-4-pent-3-enylphenoxy)-1-fluoropropyl]-4-ethoxy-2,3-difluorobenzene
CID 77385910
1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 90128779
1-(cyclohexylidenemethoxymethyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 67434469
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056
4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol
CID 134473123

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
The IUPAC name of 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene (CID 118320421) is 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene is CCOc1ccc(-c2ccc(CCC=C(F)CCF)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
The InChIKey is LIDFEWGCSJWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6O/c1-2-27-16-9-8-15(19(25)20(16)26)14-7-6-12(17(23)18(14)24)4-3-5-13(22)10-11-21/h5-9H,2-4,10-11H2,1H3.
What are the key properties of 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene?
1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene has a molecular weight of 388.35 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene is sourced from PubChem (CID 118320421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).