CID 90174844

C17H15F4OSi — CID 90174844

IUPAC—
SMILESCCC(CC)(O[Si])c1ccc(-c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C17H15F4OSi/c1-3-17(4-2,22-23)11-7-5-10(6-8-11)12-9-13(18)15(20)16(21)14(12)19/h5-9H,3-4H2,1-2H3
InChIKeyVBAJNUWUIIJRHF-UHFFFAOYSA-N
MW339.38 g/mol
LogP5.03
Rot. Bonds5

About CID 90174844

CID 90174844 (PubChem CID 90174844) has the molecular formula C17H15F4OSi and a molecular weight of 339.38 g/mol.

Molecular Properties

Compound NameCID 90174844
PubChem CID90174844
Molecular FormulaC17H15F4OSi
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name—
SMILESCCC(CC)(O[Si])c1ccc(-c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C17H15F4OSi/c1-3-17(4-2,22-23)11-7-5-10(6-8-11)12-9-13(18)15(20)16(21)14(12)19/h5-9H,3-4H2,1-2H3
InChIKeyVBAJNUWUIIJRHF-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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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CID 90171138
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CID 19436318
1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene
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CID 90172668
CID 90172668
1,2-difluoro-4-methyl-5-[4-(4-propylcyclohexyl)phenyl]-3-[4-(trifluoromethyl)phenoxy]benzene
CID 22941351

Frequently Asked Questions

What is the IUPAC name of CID 90174844?
The IUPAC name of CID 90174844 (CID 90174844) is not available.
What is the SMILES notation for CID 90174844?
The canonical SMILES for CID 90174844 is CCC(CC)(O[Si])c1ccc(-c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of CID 90174844?
The InChIKey is VBAJNUWUIIJRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4OSi/c1-3-17(4-2,22-23)11-7-5-10(6-8-11)12-9-13(18)15(20)16(21)14(12)19/h5-9H,3-4H2,1-2H3.
What are the key properties of CID 90174844?
CID 90174844 has a molecular weight of 339.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174844 is sourced from PubChem (CID 90174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).