(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol

C14H24FNO2Si — CID 68880010

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H24FNO2Si/c1-10(18-19(5,6)14(2,3)4)13(17)12-8-7-11(15)9-16-12/h7-10,13,17H,1-6H3/t10-,13?/m0/s1
InChIKeyJFDQLJNWOAMXQH-NKUHCKNESA-N
MW285.44 g/mol
LogP3.66
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 68880010) has the molecular formula C14H24FNO2Si and a molecular weight of 285.44 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID68880010
Molecular FormulaC14H24FNO2Si
Molecular Weight285.44 g/mol
Exact Mass285.16
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(O)c1ccc(F)cn1
InChIInChI=1S/C14H24FNO2Si/c1-10(18-19(5,6)14(2,3)4)13(17)12-8-7-11(15)9-16-12/h7-10,13,17H,1-6H3/t10-,13?/m0/s1
InChIKeyJFDQLJNWOAMXQH-NKUHCKNESA-N
XLogP3.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 68880010) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol is C[C@H](O[Si](C)(C)C(C)(C)C)C(O)c1ccc(F)cn1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is JFDQLJNWOAMXQH-NKUHCKNESA-N. The full InChI is InChI=1S/C14H24FNO2Si/c1-10(18-19(5,6)14(2,3)4)13(17)12-8-7-11(15)9-16-12/h7-10,13,17H,1-6H3/t10-,13?/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 285.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 68880010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).