CID 90171829

C16H24F3O2Si — CID 90171829

IUPAC—
SMILESCCO[Si](CCCCCc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C16H24F3O2Si/c1-3-20-22(21-4-2)12-7-5-6-9-14-10-8-11-15(13-14)16(17,18)19/h8,10-11,13H,3-7,9,12H2,1-2H3
InChIKeyPRKQFOFLRHYRMI-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.98
Rot. Bonds10

About CID 90171829

CID 90171829 (PubChem CID 90171829) has the molecular formula C16H24F3O2Si and a molecular weight of 333.45 g/mol.

Molecular Properties

Compound NameCID 90171829
PubChem CID90171829
Molecular FormulaC16H24F3O2Si
Molecular Weight333.45 g/mol
Exact Mass333.15
IUPAC Name—
SMILESCCO[Si](CCCCCc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C16H24F3O2Si/c1-3-20-22(21-4-2)12-7-5-6-9-14-10-8-11-15(13-14)16(17,18)19/h8,10-11,13H,3-7,9,12H2,1-2H3
InChIKeyPRKQFOFLRHYRMI-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.98
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'}

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Related Compounds

CID 90171032
CID 90171032
CID 90171309
CID 90171309
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
CID 90171880
CID 90171880
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
CID 141200659
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
CID 90174356
CID 90174356
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460

Frequently Asked Questions

What is the IUPAC name of CID 90171829?
The IUPAC name of CID 90171829 (CID 90171829) is not available.
What is the SMILES notation for CID 90171829?
The canonical SMILES for CID 90171829 is CCO[Si](CCCCCc1cccc(C(F)(F)F)c1)OCC.
What is the InChIKey of CID 90171829?
The InChIKey is PRKQFOFLRHYRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3O2Si/c1-3-20-22(21-4-2)12-7-5-6-9-14-10-8-11-15(13-14)16(17,18)19/h8,10-11,13H,3-7,9,12H2,1-2H3.
What are the key properties of CID 90171829?
CID 90171829 has a molecular weight of 333.45 g/mol, XLogP of 4.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171829 is sourced from PubChem (CID 90171829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).