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

C11H15F3O3Si — CID 90174504

IUPACtrihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
SMILESO[Si](O)(O)CCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3O3Si/c12-9-7-11(14)10(13)6-8(9)4-2-1-3-5-18(15,16)17/h6-7,15-17H,1-5H2
InChIKeyJKMLWARRTYITHJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.73
Rot. Bonds6

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

trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane (PubChem CID 90174504) has the molecular formula C11H15F3O3Si and a molecular weight of 280.32 g/mol. Its IUPAC name is trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane.

Molecular Properties

Compound Nametrihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
PubChem CID90174504
Molecular FormulaC11H15F3O3Si
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Nametrihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
SMILESO[Si](O)(O)CCCCCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3O3Si/c12-9-7-11(14)10(13)6-8(9)4-2-1-3-5-18(15,16)17/h6-7,15-17H,1-5H2
InChIKeyJKMLWARRTYITHJ-UHFFFAOYSA-N
XLogP1.73
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.73
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
6-(3,5-difluorophenyl)hexyl-trihydroxysilane
CID 90173670
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90172693
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
CID 90174905
CID 90174905
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
CID 90170957
CID 90170957

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane?
The IUPAC name of trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane (CID 90174504) is trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane.
What is the SMILES notation for trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane?
The canonical SMILES for trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane is O[Si](O)(O)CCCCCc1cc(F)c(F)cc1F.
What is the InChIKey of trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane?
The InChIKey is JKMLWARRTYITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O3Si/c12-9-7-11(14)10(13)6-8(9)4-2-1-3-5-18(15,16)17/h6-7,15-17H,1-5H2.
What are the key properties of trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane?
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane has a molecular weight of 280.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane is sourced from PubChem (CID 90174504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).