CID 90170636

C13H17F3O3Si — CID 90170636

IUPAC—
SMILESCC(C)OC(O[Si]c1cc(F)c(F)cc1F)OC(C)C
InChIInChI=1S/C13H17F3O3Si/c1-7(2)17-13(18-8(3)4)19-20-12-6-10(15)9(14)5-11(12)16/h5-8,13H,1-4H3
InChIKeyXSXDUMQCBXANJC-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.50
Rot. Bonds7

About CID 90170636

CID 90170636 (PubChem CID 90170636) has the molecular formula C13H17F3O3Si and a molecular weight of 306.36 g/mol.

Molecular Properties

Compound NameCID 90170636
PubChem CID90170636
Molecular FormulaC13H17F3O3Si
Molecular Weight306.36 g/mol
Exact Mass306.09
IUPAC Name—
SMILESCC(C)OC(O[Si]c1cc(F)c(F)cc1F)OC(C)C
InChIInChI=1S/C13H17F3O3Si/c1-7(2)17-13(18-8(3)4)19-20-12-6-10(15)9(14)5-11(12)16/h5-8,13H,1-4H3
InChIKeyXSXDUMQCBXANJC-UHFFFAOYSA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 21946926
CID 21946926
CID 21946951
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CID 90170184
CID 90170275
CID 90170275
CID 90170317
CID 90170317
CID 90170570
CID 90170570
CID 90170572
CID 90170572
CID 90170606
CID 90170606
CID 90170635
CID 90170635
CID 90170784
CID 90170784
CID 90170787
CID 90170787
CID 90171036
CID 90171036

Frequently Asked Questions

What is the IUPAC name of CID 90170636?
The IUPAC name of CID 90170636 (CID 90170636) is not available.
What is the SMILES notation for CID 90170636?
The canonical SMILES for CID 90170636 is CC(C)OC(O[Si]c1cc(F)c(F)cc1F)OC(C)C.
What is the InChIKey of CID 90170636?
The InChIKey is XSXDUMQCBXANJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3Si/c1-7(2)17-13(18-8(3)4)19-20-12-6-10(15)9(14)5-11(12)16/h5-8,13H,1-4H3.
What are the key properties of CID 90170636?
CID 90170636 has a molecular weight of 306.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170636 is sourced from PubChem (CID 90170636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).