CID 59888231

C12H13F3O2Si — CID 59888231

IUPAC—
SMILESCC1COC(C[Si]c2cc(F)c(F)c(F)c2)OC1
InChIInChI=1S/C12H13F3O2Si/c1-7-4-16-11(17-5-7)6-18-8-2-9(13)12(15)10(14)3-8/h2-3,7,11H,4-6H2,1H3
InChIKeyMBLMFPVZKIUJRN-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.86
Rot. Bonds3

About CID 59888231

CID 59888231 (PubChem CID 59888231) has the molecular formula C12H13F3O2Si and a molecular weight of 274.31 g/mol.

Molecular Properties

Compound NameCID 59888231
PubChem CID59888231
Molecular FormulaC12H13F3O2Si
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name—
SMILESCC1COC(C[Si]c2cc(F)c(F)c(F)c2)OC1
InChIInChI=1S/C12H13F3O2Si/c1-7-4-16-11(17-5-7)6-18-8-2-9(13)12(15)10(14)3-8/h2-3,7,11H,4-6H2,1H3
InChIKeyMBLMFPVZKIUJRN-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59888231?
The IUPAC name of CID 59888231 (CID 59888231) is not available.
What is the SMILES notation for CID 59888231?
The canonical SMILES for CID 59888231 is CC1COC(C[Si]c2cc(F)c(F)c(F)c2)OC1.
What is the InChIKey of CID 59888231?
The InChIKey is MBLMFPVZKIUJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2Si/c1-7-4-16-11(17-5-7)6-18-8-2-9(13)12(15)10(14)3-8/h2-3,7,11H,4-6H2,1H3.
What are the key properties of CID 59888231?
CID 59888231 has a molecular weight of 274.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59888231 is sourced from PubChem (CID 59888231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).