3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

C19H32F2O3 — CID 118400811

IUPAC3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCCCCOC1CCC2C3CCC(OCCC)C(F)C3OC2C1F
InChIInChI=1S/C19H32F2O3/c1-3-5-11-23-15-9-7-13-12-6-8-14(22-10-4-2)16(20)18(12)24-19(13)17(15)21/h12-19H,3-11H2,1-2H3
InChIKeyJSMFZPWIMPBTFK-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.23
Rot. Bonds7

About 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (PubChem CID 118400811) has the molecular formula C19H32F2O3 and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.

Molecular Properties

Compound Name3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
PubChem CID118400811
Molecular FormulaC19H32F2O3
Molecular Weight346.46 g/mol
Exact Mass346.23
IUPAC Name3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCCCCOC1CCC2C3CCC(OCCC)C(F)C3OC2C1F
InChIInChI=1S/C19H32F2O3/c1-3-5-11-23-15-9-7-13-12-6-8-14(22-10-4-2)16(20)18(12)24-19(13)17(15)21/h12-19H,3-11H2,1-2H3
InChIKeyJSMFZPWIMPBTFK-UHFFFAOYSA-N
XLogP4.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The IUPAC name of 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (CID 118400811) is 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.
What is the SMILES notation for 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The canonical SMILES for 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is CCCCOC1CCC2C3CCC(OCCC)C(F)C3OC2C1F.
What is the InChIKey of 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The InChIKey is JSMFZPWIMPBTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2O3/c1-3-5-11-23-15-9-7-13-12-6-8-14(22-10-4-2)16(20)18(12)24-19(13)17(15)21/h12-19H,3-11H2,1-2H3.
What are the key properties of 3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
3-butoxy-4,6-difluoro-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran has a molecular weight of 346.46 g/mol, XLogP of 4.23, 7 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-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is sourced from PubChem (CID 118400811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).