CID 90171032

C15H22F3O2Si — CID 90171032

IUPAC—
SMILESCCO[Si](CCCCc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C15H22F3O2Si/c1-3-19-21(20-4-2)11-6-5-8-13-9-7-10-14(12-13)15(16,17)18/h7,9-10,12H,3-6,8,11H2,1-2H3
InChIKeyMZTBRYALYBBUIW-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.59
Rot. Bonds9

About CID 90171032

CID 90171032 (PubChem CID 90171032) has the molecular formula C15H22F3O2Si and a molecular weight of 319.42 g/mol.

Molecular Properties

Compound NameCID 90171032
PubChem CID90171032
Molecular FormulaC15H22F3O2Si
Molecular Weight319.42 g/mol
Exact Mass319.13
IUPAC Name—
SMILESCCO[Si](CCCCc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C15H22F3O2Si/c1-3-19-21(20-4-2)11-6-5-8-13-9-7-10-14(12-13)15(16,17)18/h7,9-10,12H,3-6,8,11H2,1-2H3
InChIKeyMZTBRYALYBBUIW-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 90171032 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90171829
CID 90171829
CID 90171309
CID 90171309
CID 90171880
CID 90171880
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830

Frequently Asked Questions

What is the IUPAC name of CID 90171032?
The IUPAC name of CID 90171032 (CID 90171032) is not available.
What is the SMILES notation for CID 90171032?
The canonical SMILES for CID 90171032 is CCO[Si](CCCCc1cccc(C(F)(F)F)c1)OCC.
What is the InChIKey of CID 90171032?
The InChIKey is MZTBRYALYBBUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3O2Si/c1-3-19-21(20-4-2)11-6-5-8-13-9-7-10-14(12-13)15(16,17)18/h7,9-10,12H,3-6,8,11H2,1-2H3.
What are the key properties of CID 90171032?
CID 90171032 has a molecular weight of 319.42 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171032 is sourced from PubChem (CID 90171032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).