CID 90171949

C15H20F3O3Si — CID 90171949

IUPAC—
SMILESCC(C)OC(CCc1cc(F)c(F)cc1F)(O[Si])OC(C)C
InChIInChI=1S/C15H20F3O3Si/c1-9(2)19-15(21-22,20-10(3)4)6-5-11-7-13(17)14(18)8-12(11)16/h7-10H,5-6H2,1-4H3
InChIKeyGKDRSDLWBCUSAR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.64
Rot. Bonds8

About CID 90171949

CID 90171949 (PubChem CID 90171949) has the molecular formula C15H20F3O3Si and a molecular weight of 333.40 g/mol.

Molecular Properties

Compound NameCID 90171949
PubChem CID90171949
Molecular FormulaC15H20F3O3Si
Molecular Weight333.40 g/mol
Exact Mass333.11
IUPAC Name—
SMILESCC(C)OC(CCc1cc(F)c(F)cc1F)(O[Si])OC(C)C
InChIInChI=1S/C15H20F3O3Si/c1-9(2)19-15(21-22,20-10(3)4)6-5-11-7-13(17)14(18)8-12(11)16/h7-10H,5-6H2,1-4H3
InChIKeyGKDRSDLWBCUSAR-UHFFFAOYSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

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tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
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hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
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CID 90174869
CID 90174869
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
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2,2-dimethyl-6-(2,4,5-trifluorophenyl)hexan-1-amine
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hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
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4-(2,4,5-trifluorophenyl)butan-2-ylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of CID 90171949?
The IUPAC name of CID 90171949 (CID 90171949) is not available.
What is the SMILES notation for CID 90171949?
The canonical SMILES for CID 90171949 is CC(C)OC(CCc1cc(F)c(F)cc1F)(O[Si])OC(C)C.
What is the InChIKey of CID 90171949?
The InChIKey is GKDRSDLWBCUSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3O3Si/c1-9(2)19-15(21-22,20-10(3)4)6-5-11-7-13(17)14(18)8-12(11)16/h7-10H,5-6H2,1-4H3.
What are the key properties of CID 90171949?
CID 90171949 has a molecular weight of 333.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171949 is sourced from PubChem (CID 90171949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).