CID 90170885

C17H25F3O3Si — CID 90170885

IUPAC—
SMILESCCOC(OCC)O[Si]CCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C17H25F3O3Si/c1-3-21-17(22-4-2)23-24-10-8-6-5-7-9-13-11-15(19)16(20)12-14(13)18/h11-12,17H,3-10H2,1-2H3
InChIKeyYAHRZMOEIVCXFF-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.62
Rot. Bonds13

About CID 90170885

CID 90170885 (PubChem CID 90170885) has the molecular formula C17H25F3O3Si and a molecular weight of 362.46 g/mol.

Molecular Properties

Compound NameCID 90170885
PubChem CID90170885
Molecular FormulaC17H25F3O3Si
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name—
SMILESCCOC(OCC)O[Si]CCCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C17H25F3O3Si/c1-3-21-17(22-4-2)23-24-10-8-6-5-7-9-13-11-15(19)16(20)12-14(13)18/h11-12,17H,3-10H2,1-2H3
InChIKeyYAHRZMOEIVCXFF-UHFFFAOYSA-N
XLogP4.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.62
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 90172645
CID 90172645
CID 90174869
CID 90174869
CID 90175268
CID 90175268
diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 154500757
CID 90171123
CID 90171123
CID 90175207
CID 90175207
CID 90170880
CID 90170880
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
CID 90174905
CID 90174905
CID 90174549
CID 90174549
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605

Frequently Asked Questions

What is the IUPAC name of CID 90170885?
The IUPAC name of CID 90170885 (CID 90170885) is not available.
What is the SMILES notation for CID 90170885?
The canonical SMILES for CID 90170885 is CCOC(OCC)O[Si]CCCCCCc1cc(F)c(F)cc1F.
What is the InChIKey of CID 90170885?
The InChIKey is YAHRZMOEIVCXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3O3Si/c1-3-21-17(22-4-2)23-24-10-8-6-5-7-9-13-11-15(19)16(20)12-14(13)18/h11-12,17H,3-10H2,1-2H3.
What are the key properties of CID 90170885?
CID 90170885 has a molecular weight of 362.46 g/mol, XLogP of 4.62, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170885 is sourced from PubChem (CID 90170885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).