4,6-difluoro-3-propoxy-7-propyldibenzofuran

C18H18F2O2 — CID 118372761

IUPAC4,6-difluoro-3-propoxy-7-propyldibenzofuran
SMILESCCCOc1ccc2c(oc3c(F)c(CCC)ccc32)c1F
InChIInChI=1S/C18H18F2O2/c1-3-5-11-6-7-12-13-8-9-14(21-10-4-2)16(20)18(13)22-17(12)15(11)19/h6-9H,3-5,10H2,1-2H3
InChIKeyUZLNRVYCNRMKLD-UHFFFAOYSA-N
MW304.34 g/mol
LogP5.61
Rot. Bonds5

About 4,6-difluoro-3-propoxy-7-propyldibenzofuran

4,6-difluoro-3-propoxy-7-propyldibenzofuran (PubChem CID 118372761) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4,6-difluoro-3-propoxy-7-propyldibenzofuran.

Molecular Properties

Compound Name4,6-difluoro-3-propoxy-7-propyldibenzofuran
PubChem CID118372761
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name4,6-difluoro-3-propoxy-7-propyldibenzofuran
SMILESCCCOc1ccc2c(oc3c(F)c(CCC)ccc32)c1F
InChIInChI=1S/C18H18F2O2/c1-3-5-11-6-7-12-13-8-9-14(21-10-4-2)16(20)18(13)22-17(12)15(11)19/h6-9H,3-5,10H2,1-2H3
InChIKeyUZLNRVYCNRMKLD-UHFFFAOYSA-N
XLogP5.61
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.34
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
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-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran
CID 163495590
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 90128779
3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran
CID 146324836
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
2-propoxy-5-propyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 154277902

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-propoxy-7-propyldibenzofuran?
The IUPAC name of 4,6-difluoro-3-propoxy-7-propyldibenzofuran (CID 118372761) is 4,6-difluoro-3-propoxy-7-propyldibenzofuran.
What is the SMILES notation for 4,6-difluoro-3-propoxy-7-propyldibenzofuran?
The canonical SMILES for 4,6-difluoro-3-propoxy-7-propyldibenzofuran is CCCOc1ccc2c(oc3c(F)c(CCC)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-3-propoxy-7-propyldibenzofuran?
The InChIKey is UZLNRVYCNRMKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c1-3-5-11-6-7-12-13-8-9-14(21-10-4-2)16(20)18(13)22-17(12)15(11)19/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 4,6-difluoro-3-propoxy-7-propyldibenzofuran?
4,6-difluoro-3-propoxy-7-propyldibenzofuran has a molecular weight of 304.34 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-propoxy-7-propyldibenzofuran is sourced from PubChem (CID 118372761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).