CID 158558373

C16H31BF2N2O3Si- — CID 158558373

IUPAC—
SMILESCC(C)O[B-](OC(C)C)c1cc(C(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C16H31BF2N2O3Si/c1-12(2)23-17(24-13(3)4)15-10-14(16(18)19)20-21(15)11-22-8-9-25(5,6)7/h10,12-13,16H,8-9,11H2,1-7H3/q-1
InChIKeySDRJQTGIHRKJBC-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.68
Rot. Bonds11

About CID 158558373

CID 158558373 (PubChem CID 158558373) has the molecular formula C16H31BF2N2O3Si- and a molecular weight of 376.33 g/mol.

Molecular Properties

Compound NameCID 158558373
PubChem CID158558373
Molecular FormulaC16H31BF2N2O3Si-
Molecular Weight376.33 g/mol
Exact Mass376.22
IUPAC Name—
SMILESCC(C)O[B-](OC(C)C)c1cc(C(F)F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C16H31BF2N2O3Si/c1-12(2)23-17(24-13(3)4)15-10-14(16(18)19)20-21(15)11-22-8-9-25(5,6)7/h10,12-13,16H,8-9,11H2,1-7H3/q-1
InChIKeySDRJQTGIHRKJBC-UHFFFAOYSA-N
XLogP3.68
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-Bromo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 135086472
2-[[5-Diethoxyphosphoryl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164668430
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151156877
3-(Difluoromethyl)-1-(methoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157025511
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
CID 163671660
2-[[3-(Difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 172290204
Trimethyl-[2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 175735739
2-[[3-Bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911691
[3-(Difluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide
CID 177101760
2-[[3-Bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[[5-(Difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 178993314
[3-Methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]boronic acid
CID 59333326

Frequently Asked Questions

What is the IUPAC name of CID 158558373?
The IUPAC name of CID 158558373 (CID 158558373) is not available.
What is the SMILES notation for CID 158558373?
The canonical SMILES for CID 158558373 is CC(C)O[B-](OC(C)C)c1cc(C(F)F)nn1COCC[Si](C)(C)C.
What is the InChIKey of CID 158558373?
The InChIKey is SDRJQTGIHRKJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BF2N2O3Si/c1-12(2)23-17(24-13(3)4)15-10-14(16(18)19)20-21(15)11-22-8-9-25(5,6)7/h10,12-13,16H,8-9,11H2,1-7H3/q-1.
What are the key properties of CID 158558373?
CID 158558373 has a molecular weight of 376.33 g/mol, XLogP of 3.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158558373 is sourced from PubChem (CID 158558373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).