CID 70149047

C6H3F3OSi — CID 70149047

IUPAC—
SMILESO[Si]c1ccc(F)c(F)c1F
InChIInChI=1S/C6H3F3OSi/c7-3-1-2-4(11-10)6(9)5(3)8/h1-2,10H
InChIKeyJJKZTBGKOAFRDP-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.34
Rot. Bonds1

About CID 70149047

CID 70149047 (PubChem CID 70149047) has the molecular formula C6H3F3OSi and a molecular weight of 176.17 g/mol.

Molecular Properties

Compound NameCID 70149047
PubChem CID70149047
Molecular FormulaC6H3F3OSi
Molecular Weight176.17 g/mol
Exact Mass175.99
IUPAC Name—
SMILESO[Si]c1ccc(F)c(F)c1F
InChIInChI=1S/C6H3F3OSi/c7-3-1-2-4(11-10)6(9)5(3)8/h1-2,10H
InChIKeyJJKZTBGKOAFRDP-UHFFFAOYSA-N
XLogP0.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,3,4-trifluorophenyl)prop-2-yn-1-one
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2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene
CID 175290813
N,2,3,4-tetrafluoroaniline
CID 54516145
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
CID 175450687
CID 175450687
(3,4-difluoro-2-methoxyphenyl)-methoxyborinic acid
CID 145222116
2-ethyl-3,4-difluorophenol
CID 130218632

Frequently Asked Questions

What is the IUPAC name of CID 70149047?
The IUPAC name of CID 70149047 (CID 70149047) is not available.
What is the SMILES notation for CID 70149047?
The canonical SMILES for CID 70149047 is O[Si]c1ccc(F)c(F)c1F.
What is the InChIKey of CID 70149047?
The InChIKey is JJKZTBGKOAFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3OSi/c7-3-1-2-4(11-10)6(9)5(3)8/h1-2,10H.
What are the key properties of CID 70149047?
CID 70149047 has a molecular weight of 176.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70149047 is sourced from PubChem (CID 70149047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).