CID 21335541

C12H10F17O2Si — CID 21335541

IUPAC—
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H10F17O2Si/c1-30-32(31-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3
InChIKeyOHBYZYOSFDSSJQ-UHFFFAOYSA-N
MW537.26 g/mol
LogP6.17
Rot. Bonds11

About CID 21335541

CID 21335541 (PubChem CID 21335541) has the molecular formula C12H10F17O2Si and a molecular weight of 537.26 g/mol.

Molecular Properties

Compound NameCID 21335541
PubChem CID21335541
Molecular FormulaC12H10F17O2Si
Molecular Weight537.26 g/mol
Exact Mass537.02
IUPAC Name—
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H10F17O2Si/c1-30-32(31-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3
InChIKeyOHBYZYOSFDSSJQ-UHFFFAOYSA-N
XLogP6.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.26
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21335541?
The IUPAC name of CID 21335541 (CID 21335541) is not available.
What is the SMILES notation for CID 21335541?
The canonical SMILES for CID 21335541 is CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of CID 21335541?
The InChIKey is OHBYZYOSFDSSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F17O2Si/c1-30-32(31-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3.
What are the key properties of CID 21335541?
CID 21335541 has a molecular weight of 537.26 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21335541 is sourced from PubChem (CID 21335541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).