3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran

C25H26F4O2 — CID 140909255

IUPAC3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran
SMILESCCCCCC1CC=C(c2cc3oc4cc(OCC)c(F)c(F)c4c3c(F)c2F)CC1
InChIInChI=1S/C25H26F4O2/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-17-20(24(28)22(16)26)21-18(31-17)13-19(30-4-2)23(27)25(21)29/h10,12-14H,3-9,11H2,1-2H3
InChIKeyVXHXPIDZWAYDLS-UHFFFAOYSA-N
MW434.47 g/mol
LogP8.30
Rot. Bonds7

About 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran

3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran (PubChem CID 140909255) has the molecular formula C25H26F4O2 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran.

Molecular Properties

Compound Name3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran
PubChem CID140909255
Molecular FormulaC25H26F4O2
Molecular Weight434.47 g/mol
Exact Mass434.19
IUPAC Name3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran
SMILESCCCCCC1CC=C(c2cc3oc4cc(OCC)c(F)c(F)c4c3c(F)c2F)CC1
InChIInChI=1S/C25H26F4O2/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-17-20(24(28)22(16)26)21-18(31-17)13-19(30-4-2)23(27)25(21)29/h10,12-14H,3-9,11H2,1-2H3
InChIKeyVXHXPIDZWAYDLS-UHFFFAOYSA-N
XLogP8.30
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[2-fluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 59609819
1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 140909283
1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene
CID 14495643
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
1-[4-[2,3-difluoro-4-(4-nonylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-pent-2-enoxybenzene
CID 77343985
1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene
CID 19108157
2-chloro-3-fluoro-1-(4-heptylcyclohexen-1-yl)-4-methoxybenzene
CID 59257444
1-ethoxy-4-[4-[3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]propyl]-3-fluorophenyl]-2,3-difluorobenzene
CID 122643434
4-bromo-2-fluoro-1-(4-pentylcyclohexen-1-yl)benzene
CID 58687490
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 59257238
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-4-methylbenzene
CID 67731127
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856330

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran?
The IUPAC name of 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran (CID 140909255) is 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran.
What is the SMILES notation for 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran?
The canonical SMILES for 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran is CCCCCC1CC=C(c2cc3oc4cc(OCC)c(F)c(F)c4c3c(F)c2F)CC1.
What is the InChIKey of 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran?
The InChIKey is VXHXPIDZWAYDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4O2/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-17-20(24(28)22(16)26)21-18(31-17)13-19(30-4-2)23(27)25(21)29/h10,12-14H,3-9,11H2,1-2H3.
What are the key properties of 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran?
3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran has a molecular weight of 434.47 g/mol, XLogP of 8.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran is sourced from PubChem (CID 140909255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).