5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane

C12H18F2O3Si — CID 90175060

IUPAC5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2O3Si/c1-17-18(15,16)6-4-2-3-5-10-7-11(13)9-12(14)8-10/h7-9,15-16H,2-6H2,1H3
InChIKeyQUOWDOGNYMQJKD-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.25
Rot. Bonds7

About 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane

5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane (PubChem CID 90175060) has the molecular formula C12H18F2O3Si and a molecular weight of 276.35 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
PubChem CID90175060
Molecular FormulaC12H18F2O3Si
Molecular Weight276.35 g/mol
Exact Mass276.10
IUPAC Name5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2O3Si/c1-17-18(15,16)6-4-2-3-5-10-7-11(13)9-12(14)8-10/h7-9,15-16H,2-6H2,1H3
InChIKeyQUOWDOGNYMQJKD-UHFFFAOYSA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
6-(3,5-difluorophenyl)hexyl-trihydroxysilane
CID 90173670
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90171446
dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
CID 90173628
6-(3-fluorophenyl)hexyl-hydroxy-dimethoxysilane
CID 90174154
6-(3-fluorophenyl)hexyl-methoxy-dimethylsilane
CID 90172578
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
CID 90170768

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane?
The IUPAC name of 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane (CID 90175060) is 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane.
What is the SMILES notation for 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane?
The canonical SMILES for 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane is CO[Si](O)(O)CCCCCc1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane?
The InChIKey is QUOWDOGNYMQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O3Si/c1-17-18(15,16)6-4-2-3-5-10-7-11(13)9-12(14)8-10/h7-9,15-16H,2-6H2,1H3.
What are the key properties of 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane?
5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane has a molecular weight of 276.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane is sourced from PubChem (CID 90175060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).