CID 90175187

C13H8F3O3Si — CID 90175187

IUPAC—
SMILESOC(O)(O[Si])c1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C13H8F3O3Si/c14-10-6-12(16)11(15)5-9(10)7-1-3-8(4-2-7)13(17,18)19-20/h1-6,17-18H
InChIKeyILIWWKXNFKKEKU-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.97
Rot. Bonds3

About CID 90175187

CID 90175187 (PubChem CID 90175187) has the molecular formula C13H8F3O3Si and a molecular weight of 297.28 g/mol.

Molecular Properties

Compound NameCID 90175187
PubChem CID90175187
Molecular FormulaC13H8F3O3Si
Molecular Weight297.28 g/mol
Exact Mass297.02
IUPAC Name—
SMILESOC(O)(O[Si])c1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C13H8F3O3Si/c14-10-6-12(16)11(15)5-9(10)7-1-3-8(4-2-7)13(17,18)19-20/h1-6,17-18H
InChIKeyILIWWKXNFKKEKU-UHFFFAOYSA-N
XLogP1.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
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

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CID 90171138
11,31,45,55-tetrafluoroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
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CID 90174844
CID 90174844
hydroxy-di(propan-2-yl)-[4-(2,4,5-trifluorophenyl)phenyl]silane
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N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
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[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol
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methyl 4,5-difluoro-2-[4-(trifluoromethyl)phenyl]benzoate
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1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
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4-tert-butyl-2-(4-chlorophenyl)-1-fluorobenzene
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4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 90175187?
The IUPAC name of CID 90175187 (CID 90175187) is not available.
What is the SMILES notation for CID 90175187?
The canonical SMILES for CID 90175187 is OC(O)(O[Si])c1ccc(-c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of CID 90175187?
The InChIKey is ILIWWKXNFKKEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3O3Si/c14-10-6-12(16)11(15)5-9(10)7-1-3-8(4-2-7)13(17,18)19-20/h1-6,17-18H.
What are the key properties of CID 90175187?
CID 90175187 has a molecular weight of 297.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90175187 is sourced from PubChem (CID 90175187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).