tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane

C14H21ClF2OSi — CID 150333301

IUPACtert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1c(F)ccc(Cl)c1F
InChIInChI=1S/C14H21ClF2OSi/c1-14(2,3)19(4,5)18-9-8-10-12(16)7-6-11(15)13(10)17/h6-7H,8-9H2,1-5H3
InChIKeyGQDIHIKUCVFQSE-UHFFFAOYSA-N
MW306.86 g/mol
LogP5.18
Rot. Bonds4

About tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane

tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane (PubChem CID 150333301) has the molecular formula C14H21ClF2OSi and a molecular weight of 306.86 g/mol. Its IUPAC name is tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane
PubChem CID150333301
Molecular FormulaC14H21ClF2OSi
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Nametert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1c(F)ccc(Cl)c1F
InChIInChI=1S/C14H21ClF2OSi/c1-14(2,3)19(4,5)18-9-8-10-12(16)7-6-11(15)13(10)17/h6-7H,8-9H2,1-5H3
InChIKeyGQDIHIKUCVFQSE-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.86
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)ethanol, dimethylpentafluorophenylsilyl ether
CID 91738936
tert-Butyl(2-fluorophenethoxy)dimethylsilane
CID 57988979
tert-Butyl(4-fluorophenethoxy)dimethylsilane
CID 57989254
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153
Triethyl-[2-(4-fluorophenyl)ethoxy]silane
CID 135036599
3-(3,4-Dichlorophenyl)-3-butenol t-butyldimethylsilyl ether
CID 10871263
2-Chloro-6-fluorobenzyl alcohol, TMS derivative
CID 91735265
2-Chloro-1-fluoro-4-(3-methoxypropyl)benzene
CID 10910600
[1-(4-Chlorophenyl)-2-(trifluoromethyl)prop-2-enoxy]-trimethylsilane
CID 24888301
1-(2-Chloro-6-fluorophenyl)ethyl (t-butyldimethylsilyl)ether
CID 53883754
{[3-(3-Chloro-4-fluorophenyl)-3-buten-1-yl]oxy}(1,1-dimethylethyl)diphenylsilane
CID 59256021
Tert-butyl-[(3-chloro-2-fluoro-5-iodophenyl)methoxy]-dimethylsilane
CID 59783976

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane (CID 150333301) is tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1c(F)ccc(Cl)c1F.
What is the InChIKey of tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane?
The InChIKey is GQDIHIKUCVFQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClF2OSi/c1-14(2,3)19(4,5)18-9-8-10-12(16)7-6-11(15)13(10)17/h6-7H,8-9H2,1-5H3.
What are the key properties of tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane?
tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane has a molecular weight of 306.86 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane is sourced from PubChem (CID 150333301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).