[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane

C17H25BrClF3O2Si — CID 172541669

IUPAC[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC(F)(F)Oc1c(F)cc(Br)cc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C17H25BrClF3O2Si/c1-10(2)25(11(3)4,12(5)6)23-9-17(21,22)24-16-14(19)7-13(18)8-15(16)20/h7-8,10-12H,9H2,1-6H3
InChIKeyBNCRQXHQCMRRDV-UHFFFAOYSA-N
MW461.82 g/mol
LogP7.41
Rot. Bonds8

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

[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane (PubChem CID 172541669) has the molecular formula C17H25BrClF3O2Si and a molecular weight of 461.82 g/mol. Its IUPAC name is [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
PubChem CID172541669
Molecular FormulaC17H25BrClF3O2Si
Molecular Weight461.82 g/mol
Exact Mass460.04
IUPAC Name[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC(F)(F)Oc1c(F)cc(Br)cc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C17H25BrClF3O2Si/c1-10(2)25(11(3)4,12(5)6)23-9-17(21,22)24-16-14(19)7-13(18)8-15(16)20/h7-8,10-12H,9H2,1-6H3
InChIKeyBNCRQXHQCMRRDV-UHFFFAOYSA-N
XLogP7.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.82
LogP ≤ 57.41
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-fluoro-6-methylphenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane
CID 172541656
2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
CID 172541608
(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane
CID 53329584
[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate
CID 175077034
1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol
CID 70979667
5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 164895327
5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol
CID 162005787
5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene
CID 156514394
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane
CID 168914954
5-bromo-1-chloro-2-fluoro-3-(2-methylpropoxy)benzene
CID 171368274
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
The IUPAC name of [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane (CID 172541669) is [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane is CC(C)[Si](OCC(F)(F)Oc1c(F)cc(Br)cc1Cl)(C(C)C)C(C)C.
What is the InChIKey of [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
The InChIKey is BNCRQXHQCMRRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClF3O2Si/c1-10(2)25(11(3)4,12(5)6)23-9-17(21,22)24-16-14(19)7-13(18)8-15(16)20/h7-8,10-12H,9H2,1-6H3.
What are the key properties of [2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane?
[2-(4-bromo-2-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane has a molecular weight of 461.82 g/mol, XLogP of 7.41, 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-chloro-6-fluorophenoxy)-2,2-difluoroethoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 172541669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).