3-ethyl-4,6-difluoro-7-propoxydibenzofuran

C17H16F2O2 — CID 142394291

IUPAC3-ethyl-4,6-difluoro-7-propoxydibenzofuran
SMILESCCCOc1ccc2c(oc3c(F)c(CC)ccc32)c1F
InChIInChI=1S/C17H16F2O2/c1-3-9-20-13-8-7-12-11-6-5-10(4-2)14(18)16(11)21-17(12)15(13)19/h5-8H,3-4,9H2,1-2H3
InChIKeySVCBBKMSVMLBSL-UHFFFAOYSA-N
MW290.31 g/mol
LogP5.22
Rot. Bonds4

About 3-ethyl-4,6-difluoro-7-propoxydibenzofuran

3-ethyl-4,6-difluoro-7-propoxydibenzofuran (PubChem CID 142394291) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-ethyl-4,6-difluoro-7-propoxydibenzofuran.

Molecular Properties

Compound Name3-ethyl-4,6-difluoro-7-propoxydibenzofuran
PubChem CID142394291
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name3-ethyl-4,6-difluoro-7-propoxydibenzofuran
SMILESCCCOc1ccc2c(oc3c(F)c(CC)ccc32)c1F
InChIInChI=1S/C17H16F2O2/c1-3-9-20-13-8-7-12-11-6-5-10(4-2)14(18)16(11)21-17(12)15(13)19/h5-8H,3-4,9H2,1-2H3
InChIKeySVCBBKMSVMLBSL-UHFFFAOYSA-N
XLogP5.22
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.31
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-difluoro-3-propoxy-7-propyldibenzofuran
CID 118372761
3-butoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372770
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran
CID 163495590
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
CID 125490777
(1S)-1-(4,6-difluoro-7-hexoxydibenzofuran-3-yl)propan-1-ol
CID 125490766
3-ethyl-4,6-difluoro-7-(4-methylcyclohexyl)dibenzofuran
CID 90863117
1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 90128779
2-ethyl-5-propoxy-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 151188668

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,6-difluoro-7-propoxydibenzofuran?
The IUPAC name of 3-ethyl-4,6-difluoro-7-propoxydibenzofuran (CID 142394291) is 3-ethyl-4,6-difluoro-7-propoxydibenzofuran.
What is the SMILES notation for 3-ethyl-4,6-difluoro-7-propoxydibenzofuran?
The canonical SMILES for 3-ethyl-4,6-difluoro-7-propoxydibenzofuran is CCCOc1ccc2c(oc3c(F)c(CC)ccc32)c1F.
What is the InChIKey of 3-ethyl-4,6-difluoro-7-propoxydibenzofuran?
The InChIKey is SVCBBKMSVMLBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-3-9-20-13-8-7-12-11-6-5-10(4-2)14(18)16(11)21-17(12)15(13)19/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 3-ethyl-4,6-difluoro-7-propoxydibenzofuran?
3-ethyl-4,6-difluoro-7-propoxydibenzofuran has a molecular weight of 290.31 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,6-difluoro-7-propoxydibenzofuran is sourced from PubChem (CID 142394291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).