trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane

C11H14F4O3Si — CID 90174029

IUPACtrihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
SMILESO[Si](O)(O)CCCCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C11H14F4O3Si/c12-8-6-7(9(13)11(15)10(8)14)4-2-1-3-5-19(16,17)18/h6,16-18H,1-5H2
InChIKeyUSCHLZMAJQHLAK-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.87
Rot. Bonds6

About trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane

trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane (PubChem CID 90174029) has the molecular formula C11H14F4O3Si and a molecular weight of 298.31 g/mol. Its IUPAC name is trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane.

Molecular Properties

Compound Nametrihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
PubChem CID90174029
Molecular FormulaC11H14F4O3Si
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Nametrihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
SMILESO[Si](O)(O)CCCCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C11H14F4O3Si/c12-8-6-7(9(13)11(15)10(8)14)4-2-1-3-5-19(16,17)18/h6,16-18H,1-5H2
InChIKeyUSCHLZMAJQHLAK-UHFFFAOYSA-N
XLogP1.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
2-(2,3,4,5-tetrafluorophenyl)ethanol
CID 55267980
6-(3,5-difluorophenyl)hexyl-trihydroxysilane
CID 90173670
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The IUPAC name of trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane (CID 90174029) is trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane.
What is the SMILES notation for trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The canonical SMILES for trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane is O[Si](O)(O)CCCCCc1cc(F)c(F)c(F)c1F.
What is the InChIKey of trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The InChIKey is USCHLZMAJQHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O3Si/c12-8-6-7(9(13)11(15)10(8)14)4-2-1-3-5-19(16,17)18/h6,16-18H,1-5H2.
What are the key properties of trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane has a molecular weight of 298.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane is sourced from PubChem (CID 90174029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).