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

C21H24F2O3 — CID 118372770

IUPAC3-butoxy-4,6-difluoro-7-pentoxydibenzofuran
SMILESCCCCCOc1ccc2c(oc3c(F)c(OCCCC)ccc32)c1F
InChIInChI=1S/C21H24F2O3/c1-3-5-7-13-25-17-11-9-15-14-8-10-16(24-12-6-4-2)18(22)20(14)26-21(15)19(17)23/h8-11H,3-7,12-13H2,1-2H3
InChIKeyFQVGDRZUYBBCDM-UHFFFAOYSA-N
MW362.42 g/mol
LogP6.61
Rot. Bonds9

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

3-butoxy-4,6-difluoro-7-pentoxydibenzofuran (PubChem CID 118372770) has the molecular formula C21H24F2O3 and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran.

Molecular Properties

Compound Name3-butoxy-4,6-difluoro-7-pentoxydibenzofuran
PubChem CID118372770
Molecular FormulaC21H24F2O3
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name3-butoxy-4,6-difluoro-7-pentoxydibenzofuran
SMILESCCCCCOc1ccc2c(oc3c(F)c(OCCCC)ccc32)c1F
InChIInChI=1S/C21H24F2O3/c1-3-5-7-13-25-17-11-9-15-14-8-10-16(24-12-6-4-2)18(22)20(14)26-21(15)19(17)23/h8-11H,3-7,12-13H2,1-2H3
InChIKeyFQVGDRZUYBBCDM-UHFFFAOYSA-N
XLogP6.61
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 56.61
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-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
(1S)-1-(4,6-difluoro-7-hexoxydibenzofuran-3-yl)propan-1-ol
CID 125490766
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
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
3-butoxy-7-cyclopentylsulfanyl-4,6-difluorodibenzofuran
CID 146324940

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran?
The IUPAC name of 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran (CID 118372770) is 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran.
What is the SMILES notation for 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran?
The canonical SMILES for 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran is CCCCCOc1ccc2c(oc3c(F)c(OCCCC)ccc32)c1F.
What is the InChIKey of 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran?
The InChIKey is FQVGDRZUYBBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2O3/c1-3-5-7-13-25-17-11-9-15-14-8-10-16(24-12-6-4-2)18(22)20(14)26-21(15)19(17)23/h8-11H,3-7,12-13H2,1-2H3.
What are the key properties of 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran?
3-butoxy-4,6-difluoro-7-pentoxydibenzofuran has a molecular weight of 362.42 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4,6-difluoro-7-pentoxydibenzofuran is sourced from PubChem (CID 118372770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).