6-(3,5-difluorophenyl)hexyl-trihydroxysilane

C12H18F2O3Si — CID 90173670

IUPAC6-(3,5-difluorophenyl)hexyl-trihydroxysilane
SMILESO[Si](O)(O)CCCCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2O3Si/c13-11-7-10(8-12(14)9-11)5-3-1-2-4-6-18(15,16)17/h7-9,15-17H,1-6H2
InChIKeyJBRNRUBWSJRUHZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.98
Rot. Bonds7

About 6-(3,5-difluorophenyl)hexyl-trihydroxysilane

6-(3,5-difluorophenyl)hexyl-trihydroxysilane (PubChem CID 90173670) has the molecular formula C12H18F2O3Si and a molecular weight of 276.35 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)hexyl-trihydroxysilane.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)hexyl-trihydroxysilane
PubChem CID90173670
Molecular FormulaC12H18F2O3Si
Molecular Weight276.35 g/mol
Exact Mass276.10
IUPAC Name6-(3,5-difluorophenyl)hexyl-trihydroxysilane
SMILESO[Si](O)(O)CCCCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2O3Si/c13-11-7-10(8-12(14)9-11)5-3-1-2-4-6-18(15,16)17/h7-9,15-17H,1-6H2
InChIKeyJBRNRUBWSJRUHZ-UHFFFAOYSA-N
XLogP1.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
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

5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
CID 90175060
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90171446
[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
CID 90173628
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90170967
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
6-(3-fluorophenyl)hexyl-hydroxy-dimethoxysilane
CID 90174154
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)hexyl-trihydroxysilane?
The IUPAC name of 6-(3,5-difluorophenyl)hexyl-trihydroxysilane (CID 90173670) is 6-(3,5-difluorophenyl)hexyl-trihydroxysilane.
What is the SMILES notation for 6-(3,5-difluorophenyl)hexyl-trihydroxysilane?
The canonical SMILES for 6-(3,5-difluorophenyl)hexyl-trihydroxysilane is O[Si](O)(O)CCCCCCc1cc(F)cc(F)c1.
What is the InChIKey of 6-(3,5-difluorophenyl)hexyl-trihydroxysilane?
The InChIKey is JBRNRUBWSJRUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O3Si/c13-11-7-10(8-12(14)9-11)5-3-1-2-4-6-18(15,16)17/h7-9,15-17H,1-6H2.
What are the key properties of 6-(3,5-difluorophenyl)hexyl-trihydroxysilane?
6-(3,5-difluorophenyl)hexyl-trihydroxysilane has a molecular weight of 276.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)hexyl-trihydroxysilane is sourced from PubChem (CID 90173670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).