4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran

C32H36F4O4 — CID 162214734

IUPAC4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran
SMILESCCCC1Cc2c3c(c(F)c(F)c2O1)OC(CCC)C3.CCCc1cc2c(o1)c(F)c(F)c1oc(CCC)cc12
InChIInChI=1S/C16H20F2O2.C16H16F2O2/c2*1-3-5-9-7-11-12-8-10(6-4-2)20-16(12)14(18)13(17)15(11)19-9/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyZTHRNSWUOKOYAS-UHFFFAOYSA-N
MW560.63 g/mol
LogP9.53
Rot. Bonds8

About 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran

4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran (PubChem CID 162214734) has the molecular formula C32H36F4O4 and a molecular weight of 560.63 g/mol. Its IUPAC name is 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran.

Molecular Properties

Compound Name4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran
PubChem CID162214734
Molecular FormulaC32H36F4O4
Molecular Weight560.63 g/mol
Exact Mass560.25
IUPAC Name4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran
SMILESCCCC1Cc2c3c(c(F)c(F)c2O1)OC(CCC)C3.CCCc1cc2c(o1)c(F)c(F)c1oc(CCC)cc12
InChIInChI=1S/C16H20F2O2.C16H16F2O2/c2*1-3-5-9-7-11-12-8-10(6-4-2)20-16(12)14(18)13(17)15(11)19-9/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyZTHRNSWUOKOYAS-UHFFFAOYSA-N
XLogP9.53
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.63
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran?
The IUPAC name of 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran (CID 162214734) is 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran.
What is the SMILES notation for 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran?
The canonical SMILES for 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran is CCCC1Cc2c3c(c(F)c(F)c2O1)OC(CCC)C3.CCCc1cc2c(o1)c(F)c(F)c1oc(CCC)cc12.
What is the InChIKey of 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran?
The InChIKey is ZTHRNSWUOKOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O2.C16H16F2O2/c2*1-3-5-9-7-11-12-8-10(6-4-2)20-16(12)14(18)13(17)15(11)19-9/h9-10H,3-8H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran?
4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran has a molecular weight of 560.63 g/mol, XLogP of 9.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran is sourced from PubChem (CID 162214734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).