3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran

C20H11F5O2 — CID 175931362

IUPAC3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran
SMILESCCOc1ccc2c(oc3c(F)c(-c4cc(F)c(F)c(F)c4)ccc32)c1F
InChIInChI=1S/C20H11F5O2/c1-2-26-15-6-5-12-11-4-3-10(9-7-13(21)17(24)14(22)8-9)16(23)19(11)27-20(12)18(15)25/h3-8H,2H2,1H3
InChIKeyPCYXRBLLPHWCPA-UHFFFAOYSA-N
MW378.30 g/mol
LogP6.35
Rot. Bonds3

About 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran

3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran (PubChem CID 175931362) has the molecular formula C20H11F5O2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran.

Molecular Properties

Compound Name3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran
PubChem CID175931362
Molecular FormulaC20H11F5O2
Molecular Weight378.30 g/mol
Exact Mass378.07
IUPAC Name3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran
SMILESCCOc1ccc2c(oc3c(F)c(-c4cc(F)c(F)c(F)c4)ccc32)c1F
InChIInChI=1S/C20H11F5O2/c1-2-26-15-6-5-12-11-4-3-10(9-7-13(21)17(24)14(22)8-9)16(23)19(11)27-20(12)18(15)25/h3-8H,2H2,1H3
InChIKeyPCYXRBLLPHWCPA-UHFFFAOYSA-N
XLogP6.35
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
3-butoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372770
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
4,6-difluoro-3-propoxy-7-propyldibenzofuran
CID 118372761
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
CID 125490777

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran?
The IUPAC name of 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran (CID 175931362) is 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran.
What is the SMILES notation for 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran?
The canonical SMILES for 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran is CCOc1ccc2c(oc3c(F)c(-c4cc(F)c(F)c(F)c4)ccc32)c1F.
What is the InChIKey of 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran?
The InChIKey is PCYXRBLLPHWCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5O2/c1-2-26-15-6-5-12-11-4-3-10(9-7-13(21)17(24)14(22)8-9)16(23)19(11)27-20(12)18(15)25/h3-8H,2H2,1H3.
What are the key properties of 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran?
3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran has a molecular weight of 378.30 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,6-difluoro-7-(3,4,5-trifluorophenyl)dibenzofuran is sourced from PubChem (CID 175931362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).