(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol

C9H21FO2Si — CID 124673550

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)CF
InChIInChI=1S/C9H21FO2Si/c1-9(2,3)13(4,5)12-8(6-10)7-11/h8,11H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyNMLPPVGOMFCEFZ-MRVPVSSYSA-N
MW208.35 g/mol
LogP2.34
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol (PubChem CID 124673550) has the molecular formula C9H21FO2Si and a molecular weight of 208.35 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol
PubChem CID124673550
Molecular FormulaC9H21FO2Si
Molecular Weight208.35 g/mol
Exact Mass208.13
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)CF
InChIInChI=1S/C9H21FO2Si/c1-9(2,3)13(4,5)12-8(6-10)7-11/h8,11H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyNMLPPVGOMFCEFZ-MRVPVSSYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-fluoropropan-1-ol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol (CID 124673550) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H](CO)CF.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol?
The InChIKey is NMLPPVGOMFCEFZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H21FO2Si/c1-9(2,3)13(4,5)12-8(6-10)7-11/h8,11H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol has a molecular weight of 208.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol is sourced from PubChem (CID 124673550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).