4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane

C16H26F2OSi — CID 90171446

IUPAC4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(CCCCc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C16H26F2OSi/c1-12(2)20(19,13(3)4)8-6-5-7-14-9-15(17)11-16(18)10-14/h9-13,19H,5-8H2,1-4H3
InChIKeyLOBHNHRESBTQQW-UHFFFAOYSA-N
MW300.46 g/mol
LogP5.05
Rot. Bonds7

About 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane

4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane (PubChem CID 90171446) has the molecular formula C16H26F2OSi and a molecular weight of 300.46 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
PubChem CID90171446
Molecular FormulaC16H26F2OSi
Molecular Weight300.46 g/mol
Exact Mass300.17
IUPAC Name4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
SMILESCC(C)[Si](O)(CCCCc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C16H26F2OSi/c1-12(2)20(19,13(3)4)8-6-5-7-14-9-15(17)11-16(18)10-14/h9-13,19H,5-8H2,1-4H3
InChIKeyLOBHNHRESBTQQW-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-fluorophenyl)pentyl-hydroxy-di(propan-2-yl)silane
CID 90171924
6-(3,5-difluorophenyl)hexyl-trihydroxysilane
CID 90173670
5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
CID 90175060
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
hydroxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]-di(propan-2-yl)silane
CID 90171678
[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
CID 90173628
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
hydroxy-di(propan-2-yl)-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90172693
2-[2-(3,5-difluorophenyl)ethyl]-1,3-diethylguanidine
CID 110926509
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
CID 62616143

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane?
The IUPAC name of 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane (CID 90171446) is 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane.
What is the SMILES notation for 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane?
The canonical SMILES for 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane is CC(C)[Si](O)(CCCCc1cc(F)cc(F)c1)C(C)C.
What is the InChIKey of 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane?
The InChIKey is LOBHNHRESBTQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2OSi/c1-12(2)20(19,13(3)4)8-6-5-7-14-9-15(17)11-16(18)10-14/h9-13,19H,5-8H2,1-4H3.
What are the key properties of 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane?
4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane has a molecular weight of 300.46 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane is sourced from PubChem (CID 90171446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).