CID 90170880

C17H24F3O3Si — CID 90170880

IUPAC—
SMILESCCOC(CCCCCCc1cc(F)c(F)cc1F)(O[Si])OCC
InChIInChI=1S/C17H24F3O3Si/c1-3-21-17(23-24,22-4-2)10-8-6-5-7-9-13-11-15(19)16(20)12-14(13)18/h11-12H,3-10H2,1-2H3
InChIKeyYDOZFLFSMAJMEG-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.42
Rot. Bonds12

About CID 90170880

CID 90170880 (PubChem CID 90170880) has the molecular formula C17H24F3O3Si and a molecular weight of 361.46 g/mol.

Molecular Properties

Compound NameCID 90170880
PubChem CID90170880
Molecular FormulaC17H24F3O3Si
Molecular Weight361.46 g/mol
Exact Mass361.14
IUPAC Name—
SMILESCCOC(CCCCCCc1cc(F)c(F)cc1F)(O[Si])OCC
InChIInChI=1S/C17H24F3O3Si/c1-3-21-17(23-24,22-4-2)10-8-6-5-7-9-13-11-15(19)16(20)12-14(13)18/h11-12H,3-10H2,1-2H3
InChIKeyYDOZFLFSMAJMEG-UHFFFAOYSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 90171949
CID 90171949
2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
CID 175548510
1,1-diethoxy-2-[2-(2,4,5-trifluorophenyl)ethyl]decan-1-ol
CID 152537274
CID 90170902
CID 90170902
1,2,4-trifluoro-5-[4-(tripropoxymethyl)dodecyl]benzene
CID 172700843
CID 90175204
CID 90175204
CID 90174905
CID 90174905
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
CID 90170885
CID 90170885
tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170924
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
CID 90170957
CID 90170957

Frequently Asked Questions

What is the IUPAC name of CID 90170880?
The IUPAC name of CID 90170880 (CID 90170880) is not available.
What is the SMILES notation for CID 90170880?
The canonical SMILES for CID 90170880 is CCOC(CCCCCCc1cc(F)c(F)cc1F)(O[Si])OCC.
What is the InChIKey of CID 90170880?
The InChIKey is YDOZFLFSMAJMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3O3Si/c1-3-21-17(23-24,22-4-2)10-8-6-5-7-9-13-11-15(19)16(20)12-14(13)18/h11-12H,3-10H2,1-2H3.
What are the key properties of CID 90170880?
CID 90170880 has a molecular weight of 361.46 g/mol, XLogP of 4.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170880 is sourced from PubChem (CID 90170880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).