3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran

C19H20F2O3 — CID 118372758

IUPAC3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
SMILESCCCCCOc1ccc2c(oc3c(F)c(OCC)ccc32)c1F
InChIInChI=1S/C19H20F2O3/c1-3-5-6-11-23-15-10-8-13-12-7-9-14(22-4-2)16(20)18(12)24-19(13)17(15)21/h7-10H,3-6,11H2,1-2H3
InChIKeyFZDRZJNTSNLYCB-UHFFFAOYSA-N
MW334.36 g/mol
LogP5.83
Rot. Bonds7

About 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran

3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran (PubChem CID 118372758) has the molecular formula C19H20F2O3 and a molecular weight of 334.36 g/mol. Its IUPAC name is 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran.

Molecular Properties

Compound Name3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
PubChem CID118372758
Molecular FormulaC19H20F2O3
Molecular Weight334.36 g/mol
Exact Mass334.14
IUPAC Name3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
SMILESCCCCCOc1ccc2c(oc3c(F)c(OCC)ccc32)c1F
InChIInChI=1S/C19H20F2O3/c1-3-5-6-11-23-15-10-8-13-12-7-9-14(22-4-2)16(20)18(12)24-19(13)17(15)21/h7-10H,3-6,11H2,1-2H3
InChIKeyFZDRZJNTSNLYCB-UHFFFAOYSA-N
XLogP5.83
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 55.83
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-butoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372770
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
(1S)-1-(4,6-difluoro-7-hexoxydibenzofuran-3-yl)propan-1-ol
CID 125490766
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
CID 125490777
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
1,8-difluoro-2-hexoxy-7-nonoxyphenanthrene
CID 21267305
1,8-difluoro-2-nonoxy-7-octoxyphenanthrene
CID 21267352
4,6-difluoro-3-propoxy-7-propyldibenzofuran
CID 118372761
4,6-difluoro-3-(5-propylnonoxy)-7-(trifluoromethoxy)dibenzofuran
CID 122606063

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran?
The IUPAC name of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran (CID 118372758) is 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran.
What is the SMILES notation for 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran?
The canonical SMILES for 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran is CCCCCOc1ccc2c(oc3c(F)c(OCC)ccc32)c1F.
What is the InChIKey of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran?
The InChIKey is FZDRZJNTSNLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O3/c1-3-5-6-11-23-15-10-8-13-12-7-9-14(22-4-2)16(20)18(12)24-19(13)17(15)21/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran?
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran has a molecular weight of 334.36 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran is sourced from PubChem (CID 118372758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).