4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane

C16H23F3OSi — CID 54732591

IUPAC4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane
SMILESFCCCC[SiH]1CCC(COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F3OSi/c17-7-1-2-8-21-9-5-13(6-10-21)12-20-14-3-4-15(18)16(19)11-14/h3-4,11,13,21H,1-2,5-10,12H2
InChIKeyGDDZWFAQGREWFB-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.73
Rot. Bonds7

About 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane

4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane (PubChem CID 54732591) has the molecular formula C16H23F3OSi and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane.

Molecular Properties

Compound Name4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane
PubChem CID54732591
Molecular FormulaC16H23F3OSi
Molecular Weight316.44 g/mol
Exact Mass316.15
IUPAC Name4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane
SMILESFCCCC[SiH]1CCC(COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F3OSi/c17-7-1-2-8-21-9-5-13(6-10-21)12-20-14-3-4-15(18)16(19)11-14/h3-4,11,13,21H,1-2,5-10,12H2
InChIKeyGDDZWFAQGREWFB-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane?
The IUPAC name of 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane (CID 54732591) is 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane.
What is the SMILES notation for 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane?
The canonical SMILES for 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane is FCCCC[SiH]1CCC(COc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane?
The InChIKey is GDDZWFAQGREWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3OSi/c17-7-1-2-8-21-9-5-13(6-10-21)12-20-14-3-4-15(18)16(19)11-14/h3-4,11,13,21H,1-2,5-10,12H2.
What are the key properties of 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane?
4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane has a molecular weight of 316.44 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane is sourced from PubChem (CID 54732591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).