bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane

C10H17BrF2N2OSi — CID 156784529

IUPACbromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane
SMILESC[Si](C)(CBr)CCOCn1ccc(C(F)F)n1
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,7-11)6-5-16-8-15-4-3-9(14-15)10(12)13/h3-4,10H,5-8H2,1-2H3
InChIKeyINXGUZCVEPCMJJ-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.44
Rot. Bonds7

About bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane

bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane (PubChem CID 156784529) has the molecular formula C10H17BrF2N2OSi and a molecular weight of 327.25 g/mol. Its IUPAC name is bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane
PubChem CID156784529
Molecular FormulaC10H17BrF2N2OSi
Molecular Weight327.25 g/mol
Exact Mass326.03
IUPAC Namebromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane
SMILESC[Si](C)(CBr)CCOCn1ccc(C(F)F)n1
InChIInChI=1S/C10H17BrF2N2OSi/c1-17(2,7-11)6-5-16-8-15-4-3-9(14-15)10(12)13/h3-4,10H,5-8H2,1-2H3
InChIKeyINXGUZCVEPCMJJ-UHFFFAOYSA-N
XLogP3.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole
CID 85733851
1-(Ethoxymethyl)-3-(trifluoromethyl)pyrazole
CID 91463534
1-(Ethoxymethyl)-5-(trifluoromethyl)pyrazole
CID 91560691
1-(2-Methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 115596520
1-(3-Methoxypropyl)-3-(trifluoromethyl)pyrazole
CID 115695084
2-[[4-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140721390
Ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane
CID 143114000
3-(Trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 150504865
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151156877
1-[2-(Difluoromethoxy)ethyl]-5-methylpyrazole
CID 155181337
Trimethyl-[2-[[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 156901506
Trimethyl-[2-[[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 156901507

Frequently Asked Questions

What is the IUPAC name of bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane?
The IUPAC name of bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane (CID 156784529) is bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane.
What is the SMILES notation for bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane?
The canonical SMILES for bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane is C[Si](C)(CBr)CCOCn1ccc(C(F)F)n1.
What is the InChIKey of bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane?
The InChIKey is INXGUZCVEPCMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF2N2OSi/c1-17(2,7-11)6-5-16-8-15-4-3-9(14-15)10(12)13/h3-4,10H,5-8H2,1-2H3.
What are the key properties of bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane?
bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane has a molecular weight of 327.25 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-[2-[[3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl]-dimethylsilane is sourced from PubChem (CID 156784529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).