CID 90175204

C16H21F4O3Si — CID 90175204

IUPAC—
SMILESCC(C)OC(CCCc1cc(F)c(F)c(F)c1F)(O[Si])OC(C)C
InChIInChI=1S/C16H21F4O3Si/c1-9(2)21-16(23-24,22-10(3)4)7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10H,5-7H2,1-4H3
InChIKeyUIFLLGNPGLOEKZ-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.17
Rot. Bonds9

About CID 90175204

CID 90175204 (PubChem CID 90175204) has the molecular formula C16H21F4O3Si and a molecular weight of 365.42 g/mol.

Molecular Properties

Compound NameCID 90175204
PubChem CID90175204
Molecular FormulaC16H21F4O3Si
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name—
SMILESCC(C)OC(CCCc1cc(F)c(F)c(F)c1F)(O[Si])OC(C)C
InChIInChI=1S/C16H21F4O3Si/c1-9(2)21-16(23-24,22-10(3)4)7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10H,5-7H2,1-4H3
InChIKeyUIFLLGNPGLOEKZ-UHFFFAOYSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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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di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
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di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
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CID 90170880
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CID 151419404
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
1,2,4-trifluoro-5-(3-methyl-3-propan-2-yloxybutyl)benzene
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CID 90172645
CID 90172645
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Frequently Asked Questions

What is the IUPAC name of CID 90175204?
The IUPAC name of CID 90175204 (CID 90175204) is not available.
What is the SMILES notation for CID 90175204?
The canonical SMILES for CID 90175204 is CC(C)OC(CCCc1cc(F)c(F)c(F)c1F)(O[Si])OC(C)C.
What is the InChIKey of CID 90175204?
The InChIKey is UIFLLGNPGLOEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4O3Si/c1-9(2)21-16(23-24,22-10(3)4)7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10H,5-7H2,1-4H3.
What are the key properties of CID 90175204?
CID 90175204 has a molecular weight of 365.42 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90175204 is sourced from PubChem (CID 90175204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).