[2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane

C18H28BrF3O2Si — CID 172541656

IUPAC[2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
SMILESCc1cc(Br)cc(F)c1OC(F)(F)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H28BrF3O2Si/c1-11(2)25(12(3)4,13(5)6)23-10-18(21,22)24-17-14(7)8-15(19)9-16(17)20/h8-9,11-13H,10H2,1-7H3
InChIKeyAKXHVMYNNFGQCT-UHFFFAOYSA-N
MW441.40 g/mol
LogP7.06
Rot. Bonds8

About [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane

[2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane (PubChem CID 172541656) has the molecular formula C18H28BrF3O2Si and a molecular weight of 441.40 g/mol. Its IUPAC name is [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
PubChem CID172541656
Molecular FormulaC18H28BrF3O2Si
Molecular Weight441.40 g/mol
Exact Mass440.10
IUPAC Name[2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
SMILESCc1cc(Br)cc(F)c1OC(F)(F)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H28BrF3O2Si/c1-11(2)25(12(3)4,13(5)6)23-10-18(21,22)24-17-14(7)8-15(19)9-16(17)20/h8-9,11-13H,10H2,1-7H3
InChIKeyAKXHVMYNNFGQCT-UHFFFAOYSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.40
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
CID 172541669
1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol
CID 70979667
2,5-dibromo-1-fluoro-3-methylbenzene
CID 56604211
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
CID 172541608
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
5-bromo-1-fluoro-2,3-dimethylbenzene;ethane
CID 171643506
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665
[2-[4-[(4aR,8aS)-3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2-methylphenoxy]-2,2-difluoroethoxy]-tri(propan-2-yl)silane
CID 172541609
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064
1-[5-bromo-3-methyl-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115962784

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
The IUPAC name of [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane (CID 172541656) is [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane is Cc1cc(Br)cc(F)c1OC(F)(F)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
The InChIKey is AKXHVMYNNFGQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrF3O2Si/c1-11(2)25(12(3)4,13(5)6)23-10-18(21,22)24-17-14(7)8-15(19)9-16(17)20/h8-9,11-13H,10H2,1-7H3.
What are the key properties of [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
[2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane has a molecular weight of 441.40 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 172541656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).