chloro-diethoxy-(3,3,3-trifluoropropyl)silane

C7H14ClF3O2Si — CID 87397561

IUPACchloro-diethoxy-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](Cl)(CCC(F)(F)F)OCC
InChIInChI=1S/C7H14ClF3O2Si/c1-3-12-14(8,13-4-2)6-5-7(9,10)11/h3-6H2,1-2H3
InChIKeyQZGPEQODTAPDLZ-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.19
Rot. Bonds6

About chloro-diethoxy-(3,3,3-trifluoropropyl)silane

chloro-diethoxy-(3,3,3-trifluoropropyl)silane (PubChem CID 87397561) has the molecular formula C7H14ClF3O2Si and a molecular weight of 250.72 g/mol. Its IUPAC name is chloro-diethoxy-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namechloro-diethoxy-(3,3,3-trifluoropropyl)silane
PubChem CID87397561
Molecular FormulaC7H14ClF3O2Si
Molecular Weight250.72 g/mol
Exact Mass250.04
IUPAC Namechloro-diethoxy-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](Cl)(CCC(F)(F)F)OCC
InChIInChI=1S/C7H14ClF3O2Si/c1-3-12-14(8,13-4-2)6-5-7(9,10)11/h3-6H2,1-2H3
InChIKeyQZGPEQODTAPDLZ-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-diethoxy-(3,3,3-trifluoropropyl)silane?
The IUPAC name of chloro-diethoxy-(3,3,3-trifluoropropyl)silane (CID 87397561) is chloro-diethoxy-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for chloro-diethoxy-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for chloro-diethoxy-(3,3,3-trifluoropropyl)silane is CCO[Si](Cl)(CCC(F)(F)F)OCC.
What is the InChIKey of chloro-diethoxy-(3,3,3-trifluoropropyl)silane?
The InChIKey is QZGPEQODTAPDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClF3O2Si/c1-3-12-14(8,13-4-2)6-5-7(9,10)11/h3-6H2,1-2H3.
What are the key properties of chloro-diethoxy-(3,3,3-trifluoropropyl)silane?
chloro-diethoxy-(3,3,3-trifluoropropyl)silane has a molecular weight of 250.72 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethoxy-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 87397561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).