butyl-(3,5-difluorophenoxy)-dimethylsilane

C12H18F2OSi — CID 530871

IUPACbutyl-(3,5-difluorophenoxy)-dimethylsilane
SMILESCCCC[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2OSi/c1-4-5-6-16(2,3)15-12-8-10(13)7-11(14)9-12/h7-9H,4-6H2,1-3H3
InChIKeyFBPVEHIWZZTRLA-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.35
Rot. Bonds5

About butyl-(3,5-difluorophenoxy)-dimethylsilane

butyl-(3,5-difluorophenoxy)-dimethylsilane (PubChem CID 530871) has the molecular formula C12H18F2OSi and a molecular weight of 244.36 g/mol. Its IUPAC name is butyl-(3,5-difluorophenoxy)-dimethylsilane.

Molecular Properties

Compound Namebutyl-(3,5-difluorophenoxy)-dimethylsilane
PubChem CID530871
Molecular FormulaC12H18F2OSi
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Namebutyl-(3,5-difluorophenoxy)-dimethylsilane
SMILESCCCC[Si](C)(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H18F2OSi/c1-4-5-6-16(2,3)15-12-8-10(13)7-11(14)9-12/h7-9H,4-6H2,1-3H3
InChIKeyFBPVEHIWZZTRLA-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl-(3,5-difluorophenoxy)-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

4-(Trimethylsilyl)phenol
CID 25732
4-Triethylsilylphenol
CID 71720369
Trimethylphenoxysilane
CID 73720
Silane, dimethyldiphenoxy-
CID 76972
4-[Ethyl(dimethyl)silyl]phenol
CID 59866972
1,4-Bis(trimethylsiloxy)benzene
CID 298121
2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
CID 3384007
4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)
CID 11107815
3-(tert-Butyldimethylsilyloxy)phenylboronic Acid
CID 3463029
tert-Butyl(4-fluorophenoxy)dimethylsilane
CID 13683074
(4-Fluoro-phenoxy)-trimethyl-silane
CID 19261578
2-(Trimethylsilyl)phenol
CID 262858

Frequently Asked Questions

What is the IUPAC name of butyl-(3,5-difluorophenoxy)-dimethylsilane?
The IUPAC name of butyl-(3,5-difluorophenoxy)-dimethylsilane (CID 530871) is butyl-(3,5-difluorophenoxy)-dimethylsilane.
What is the SMILES notation for butyl-(3,5-difluorophenoxy)-dimethylsilane?
The canonical SMILES for butyl-(3,5-difluorophenoxy)-dimethylsilane is CCCC[Si](C)(C)Oc1cc(F)cc(F)c1.
What is the InChIKey of butyl-(3,5-difluorophenoxy)-dimethylsilane?
The InChIKey is FBPVEHIWZZTRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2OSi/c1-4-5-6-16(2,3)15-12-8-10(13)7-11(14)9-12/h7-9H,4-6H2,1-3H3.
What are the key properties of butyl-(3,5-difluorophenoxy)-dimethylsilane?
butyl-(3,5-difluorophenoxy)-dimethylsilane has a molecular weight of 244.36 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3,5-difluorophenoxy)-dimethylsilane is sourced from PubChem (CID 530871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).