3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran

C19H14F4O3 — CID 170268630

IUPAC3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran
SMILESFC(F)=COc1ccc2c(oc3c(F)c(OCC4CCC4)ccc32)c1F
InChIInChI=1S/C19H14F4O3/c20-15(21)9-25-14-7-5-12-11-4-6-13(24-8-10-2-1-3-10)16(22)18(11)26-19(12)17(14)23/h4-7,9-10H,1-3,8H2
InChIKeySYDAATPDEBCXHZ-UHFFFAOYSA-N
MW366.31 g/mol
LogP6.16
Rot. Bonds5

About 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran

3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran (PubChem CID 170268630) has the molecular formula C19H14F4O3 and a molecular weight of 366.31 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran
PubChem CID170268630
Molecular FormulaC19H14F4O3
Molecular Weight366.31 g/mol
Exact Mass366.09
IUPAC Name3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran
SMILESFC(F)=COc1ccc2c(oc3c(F)c(OCC4CCC4)ccc32)c1F
InChIInChI=1S/C19H14F4O3/c20-15(21)9-25-14-7-5-12-11-4-6-13(24-8-10-2-1-3-10)16(22)18(11)26-19(12)17(14)23/h4-7,9-10H,1-3,8H2
InChIKeySYDAATPDEBCXHZ-UHFFFAOYSA-N
XLogP6.16
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.31
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
CID 170268603
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
3-(cyclobutylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclobutylmethoxy)-4,6-difluoro-7-methyldibenzothiophene;3-(cyclopentylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclopentylmethoxy)-4,6-difluoro-7-methyldibenzothiophene;3-(cyclopropylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclopropylmethoxy)-4,6-difluoro-7-methyldibenzothiophene
CID 161159773
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
3-cyclopentyloxy-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzothiophene
CID 170268610
4,6-difluoro-3-(oxolan-3-yloxy)-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 146324915
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
CID 58423208

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran?
The IUPAC name of 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran (CID 170268630) is 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran.
What is the SMILES notation for 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran?
The canonical SMILES for 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran is FC(F)=COc1ccc2c(oc3c(F)c(OCC4CCC4)ccc32)c1F.
What is the InChIKey of 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran?
The InChIKey is SYDAATPDEBCXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4O3/c20-15(21)9-25-14-7-5-12-11-4-6-13(24-8-10-2-1-3-10)16(22)18(11)26-19(12)17(14)23/h4-7,9-10H,1-3,8H2.
What are the key properties of 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran?
3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran has a molecular weight of 366.31 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)-7-(2,2-difluoroethenoxy)-4,6-difluorodibenzofuran is sourced from PubChem (CID 170268630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).