3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran

C19H19F3O3 — CID 140909238

IUPAC3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran
SMILESCCCCCOc1cc2oc3cc(OCC)c(F)c(F)c3c2cc1F
InChIInChI=1S/C19H19F3O3/c1-3-5-6-7-24-14-9-13-11(8-12(14)20)17-15(25-13)10-16(23-4-2)18(21)19(17)22/h8-10H,3-7H2,1-2H3
InChIKeyTWFMUCPLUOOUHM-UHFFFAOYSA-N
MW352.35 g/mol
LogP5.97
Rot. Bonds7

About 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran

3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran (PubChem CID 140909238) has the molecular formula C19H19F3O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran.

Molecular Properties

Compound Name3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran
PubChem CID140909238
Molecular FormulaC19H19F3O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran
SMILESCCCCCOc1cc2oc3cc(OCC)c(F)c(F)c3c2cc1F
InChIInChI=1S/C19H19F3O3/c1-3-5-6-7-24-14-9-13-11(8-12(14)20)17-15(25-13)10-16(23-4-2)18(21)19(17)22/h8-10H,3-7H2,1-2H3
InChIKeyTWFMUCPLUOOUHM-UHFFFAOYSA-N
XLogP5.97
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran
CID 140909249
1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 140909283
3-(4-butylphenyl)-1,2,8,9-tetrafluoro-7-pentoxydibenzofuran
CID 140909181
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran
CID 140909255
2,3,7-trimethyl-8-octoxydibenzofuran
CID 59156344
1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran
CID 140909159
6-butoxy-7-fluoroquinoxaline
CID 119089834
1,4-difluoro-2-hexoxybenzene
CID 23437312

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran?
The IUPAC name of 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran (CID 140909238) is 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran.
What is the SMILES notation for 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran?
The canonical SMILES for 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran is CCCCCOc1cc2oc3cc(OCC)c(F)c(F)c3c2cc1F.
What is the InChIKey of 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran?
The InChIKey is TWFMUCPLUOOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O3/c1-3-5-6-7-24-14-9-13-11(8-12(14)20)17-15(25-13)10-16(23-4-2)18(21)19(17)22/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran?
3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran has a molecular weight of 352.35 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran is sourced from PubChem (CID 140909238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).