tetrakis(1,2,3-trifluoropropyl) silicate

C12H16F12O4Si — CID 87192677

IUPACtetrakis(1,2,3-trifluoropropyl) silicate
SMILESFCC(F)C(F)O[Si](OC(F)C(F)CF)(OC(F)C(F)CF)OC(F)C(F)CF
InChIInChI=1S/C12H16F12O4Si/c13-1-5(17)9(21)25-29(26-10(22)6(18)2-14,27-11(23)7(19)3-15)28-12(24)8(20)4-16/h5-12H,1-4H2
InChIKeyYPXXPZIMVOYASB-UHFFFAOYSA-N
MW480.32 g/mol
LogP3.90
Rot. Bonds16

About tetrakis(1,2,3-trifluoropropyl) silicate

tetrakis(1,2,3-trifluoropropyl) silicate (PubChem CID 87192677) has the molecular formula C12H16F12O4Si and a molecular weight of 480.32 g/mol. Its IUPAC name is tetrakis(1,2,3-trifluoropropyl) silicate.

Molecular Properties

Compound Nametetrakis(1,2,3-trifluoropropyl) silicate
PubChem CID87192677
Molecular FormulaC12H16F12O4Si
Molecular Weight480.32 g/mol
Exact Mass480.06
IUPAC Nametetrakis(1,2,3-trifluoropropyl) silicate
SMILESFCC(F)C(F)O[Si](OC(F)C(F)CF)(OC(F)C(F)CF)OC(F)C(F)CF
InChIInChI=1S/C12H16F12O4Si/c13-1-5(17)9(21)25-29(26-10(22)6(18)2-14,27-11(23)7(19)3-15)28-12(24)8(20)4-16/h5-12H,1-4H2
InChIKeyYPXXPZIMVOYASB-UHFFFAOYSA-N
XLogP3.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,2,3-trifluoropropyl) silicate?
The IUPAC name of tetrakis(1,2,3-trifluoropropyl) silicate (CID 87192677) is tetrakis(1,2,3-trifluoropropyl) silicate.
What is the SMILES notation for tetrakis(1,2,3-trifluoropropyl) silicate?
The canonical SMILES for tetrakis(1,2,3-trifluoropropyl) silicate is FCC(F)C(F)O[Si](OC(F)C(F)CF)(OC(F)C(F)CF)OC(F)C(F)CF.
What is the InChIKey of tetrakis(1,2,3-trifluoropropyl) silicate?
The InChIKey is YPXXPZIMVOYASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F12O4Si/c13-1-5(17)9(21)25-29(26-10(22)6(18)2-14,27-11(23)7(19)3-15)28-12(24)8(20)4-16/h5-12H,1-4H2.
What are the key properties of tetrakis(1,2,3-trifluoropropyl) silicate?
tetrakis(1,2,3-trifluoropropyl) silicate has a molecular weight of 480.32 g/mol, XLogP of 3.90, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,2,3-trifluoropropyl) silicate is sourced from PubChem (CID 87192677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).