2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate

C15H22F2O3Si — CID 19076715

IUPAC2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C(=O)OCC(F)F)c1
InChIInChI=1S/C15H22F2O3Si/c1-15(2,3)21(4,5)20-12-8-6-7-11(9-12)14(18)19-10-13(16)17/h6-9,13H,10H2,1-5H3
InChIKeyYAOIFFWFNXKFGX-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.49
Rot. Bonds5

About 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate

2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate (PubChem CID 19076715) has the molecular formula C15H22F2O3Si and a molecular weight of 316.42 g/mol. Its IUPAC name is 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate.

Molecular Properties

Compound Name2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
PubChem CID19076715
Molecular FormulaC15H22F2O3Si
Molecular Weight316.42 g/mol
Exact Mass316.13
IUPAC Name2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C(=O)OCC(F)F)c1
InChIInChI=1S/C15H22F2O3Si/c1-15(2,3)21(4,5)20-12-8-6-7-11(9-12)14(18)19-10-13(16)17/h6-9,13H,10H2,1-5H3
InChIKeyYAOIFFWFNXKFGX-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
CID 68579544
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane
CID 15880823
tert-butyl-[3-[(3Z)-6,6-dibromohexa-3,5-dien-3-yl]phenoxy]-dimethylsilane
CID 87503870
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
CID 68830331
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
CID 163284398

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate?
The IUPAC name of 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate (CID 19076715) is 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate.
What is the SMILES notation for 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate?
The canonical SMILES for 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate is CC(C)(C)[Si](C)(C)Oc1cccc(C(=O)OCC(F)F)c1.
What is the InChIKey of 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate?
The InChIKey is YAOIFFWFNXKFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O3Si/c1-15(2,3)21(4,5)20-12-8-6-7-11(9-12)14(18)19-10-13(16)17/h6-9,13H,10H2,1-5H3.
What are the key properties of 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate?
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate has a molecular weight of 316.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate is sourced from PubChem (CID 19076715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).