(2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol

C12H21FN2O3Si — CID 174144006

IUPAC(2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol
SMILESC[Si](C)(C)CCOCO[C@H](CO)c1ncc(F)cn1
InChIInChI=1S/C12H21FN2O3Si/c1-19(2,3)5-4-17-9-18-11(8-16)12-14-6-10(13)7-15-12/h6-7,11,16H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyBLACXBTWWHZNAY-LLVKDONJSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds8

About (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol

(2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol (PubChem CID 174144006) has the molecular formula C12H21FN2O3Si and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol.

Molecular Properties

Compound Name(2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol
PubChem CID174144006
Molecular FormulaC12H21FN2O3Si
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name(2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol
SMILESC[Si](C)(C)CCOCO[C@H](CO)c1ncc(F)cn1
InChIInChI=1S/C12H21FN2O3Si/c1-19(2,3)5-4-17-9-18-11(8-16)12-14-6-10(13)7-15-12/h6-7,11,16H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyBLACXBTWWHZNAY-LLVKDONJSA-N
XLogP1.98
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol?
The IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol (CID 174144006) is (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol.
What is the SMILES notation for (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol?
The canonical SMILES for (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol is C[Si](C)(C)CCOCO[C@H](CO)c1ncc(F)cn1.
What is the InChIKey of (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol?
The InChIKey is BLACXBTWWHZNAY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21FN2O3Si/c1-19(2,3)5-4-17-9-18-11(8-16)12-14-6-10(13)7-15-12/h6-7,11,16H,4-5,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol?
(2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol has a molecular weight of 288.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoropyrimidin-2-yl)-2-(2-trimethylsilylethoxymethoxy)ethanol is sourced from PubChem (CID 174144006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).