1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene

C16H20F2O — CID 168776499

IUPAC1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
SMILESCCOc1ccc(C2=CCC(CC)CC2)c(F)c1F
InChIInChI=1S/C16H20F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h7,9-11H,3-6,8H2,1-2H3
InChIKeyJURMCUHSFOMZDG-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.96
Rot. Bonds4

About 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene

1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene (PubChem CID 168776499) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
PubChem CID168776499
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
SMILESCCOc1ccc(C2=CCC(CC)CC2)c(F)c1F
InChIInChI=1S/C16H20F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h7,9-11H,3-6,8H2,1-2H3
InChIKeyJURMCUHSFOMZDG-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
CID 59257307
1-[[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]methoxy]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967649
1-[4-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]ethanol
CID 88857230
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967533
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856330
1-ethoxy-4-[4-[3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]propyl]-3-fluorophenyl]-2,3-difluorobenzene
CID 122643434
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 142297541
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-[4-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]propan-1-ol
CID 88857225
1-[4-[4-[[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]oxymethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453637
1-[4-[2,3-difluoro-4-(4-nonylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-pent-2-enoxybenzene
CID 77343985
1-(4-butan-2-ylphenyl)-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 123183366

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene (CID 168776499) is 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene is CCOc1ccc(C2=CCC(CC)CC2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The InChIKey is JURMCUHSFOMZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene has a molecular weight of 266.33 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene is sourced from PubChem (CID 168776499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).