(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane

C11H19BrF2OSi — CID 15222237

IUPAC(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC(F)(F)Br
InChIInChI=1S/C11H19BrF2OSi/c1-10(2,3)16(4,5)15-9-7-6-8-11(12,13)14/h7,9H2,1-5H3
InChIKeyXIPJGKJQFWXNIV-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.39
Rot. Bonds3

About (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane

(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane (PubChem CID 15222237) has the molecular formula C11H19BrF2OSi and a molecular weight of 313.26 g/mol. Its IUPAC name is (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
PubChem CID15222237
Molecular FormulaC11H19BrF2OSi
Molecular Weight313.26 g/mol
Exact Mass312.04
IUPAC Name(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC#CC(F)(F)Br
InChIInChI=1S/C11H19BrF2OSi/c1-10(2,3)16(4,5)15-9-7-6-8-11(12,13)14/h7,9H2,1-5H3
InChIKeyXIPJGKJQFWXNIV-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 21344899
CID 21344899
lithium tert-butyl-but-3-ynoxy-dimethylsilane
CID 11063224
tert-butyl-dimethyl-(6-trimethylsilylhexa-3,5-diynoxy)silane
CID 71658883
(4-bromo-4,4-difluorobut-2-ynoxy)-tert-butyl-dimethylsilane;5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;4,4-difluoropent-2-yne-1,5-diol
CID 157255641
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150
tert-butyl-dimethyl-(4-pyrazol-1-ylbut-3-ynoxy)silane
CID 46177199
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane
CID 53355261
lithium tert-butyl-hex-5-ynoxy-dimethylsilane
CID 11009447
tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane
CID 157387297
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889

Frequently Asked Questions

What is the IUPAC name of (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane (CID 15222237) is (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC#CC(F)(F)Br.
What is the InChIKey of (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane?
The InChIKey is XIPJGKJQFWXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF2OSi/c1-10(2,3)16(4,5)15-9-7-6-8-11(12,13)14/h7,9H2,1-5H3.
What are the key properties of (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane?
(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane has a molecular weight of 313.26 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 15222237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).