CID 175457574

C11H8F3O3Si — CID 175457574

IUPAC—
SMILESC#CCOc1ccc(OC(F)(F)F)c(CO[Si])c1
InChIInChI=1S/C11H8F3O3Si/c1-2-5-15-9-3-4-10(17-11(12,13)14)8(6-9)7-16-18/h1,3-4,6H,5,7H2
InChIKeyUNXQOBCVXCRATR-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.20
Rot. Bonds5

About CID 175457574

CID 175457574 (PubChem CID 175457574) has the molecular formula C11H8F3O3Si and a molecular weight of 273.26 g/mol.

Molecular Properties

Compound NameCID 175457574
PubChem CID175457574
Molecular FormulaC11H8F3O3Si
Molecular Weight273.26 g/mol
Exact Mass273.02
IUPAC Name—
SMILESC#CCOc1ccc(OC(F)(F)F)c(CO[Si])c1
InChIInChI=1S/C11H8F3O3Si/c1-2-5-15-9-3-4-10(17-11(12,13)14)8(6-9)7-16-18/h1,3-4,6H,5,7H2
InChIKeyUNXQOBCVXCRATR-UHFFFAOYSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175457600
CID 175457600
[2,5-bis(trifluoromethoxy)phenyl]methyl formate
CID 87851559
4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
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3-[2,5-bis(trifluoromethoxy)phenyl]propanal
CID 166641134
1-bromo-2-fluoro-4-prop-2-ynoxybenzene
CID 65204026
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
2-(bromomethyl)-4-(difluoromethoxy)-1-(trifluoromethoxy)benzene
CID 170997723
2,4-ditert-butyl-1-prop-2-ynoxybenzene
CID 50886344
1-but-3-ynoxy-4-(trifluoromethoxy)benzene
CID 115777016
1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one
CID 125487739

Frequently Asked Questions

What is the IUPAC name of CID 175457574?
The IUPAC name of CID 175457574 (CID 175457574) is not available.
What is the SMILES notation for CID 175457574?
The canonical SMILES for CID 175457574 is C#CCOc1ccc(OC(F)(F)F)c(CO[Si])c1.
What is the InChIKey of CID 175457574?
The InChIKey is UNXQOBCVXCRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3O3Si/c1-2-5-15-9-3-4-10(17-11(12,13)14)8(6-9)7-16-18/h1,3-4,6H,5,7H2.
What are the key properties of CID 175457574?
CID 175457574 has a molecular weight of 273.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175457574 is sourced from PubChem (CID 175457574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).