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

C9H20F2O2Si — CID 102153916

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)C(F)F
InChIInChI=1S/C9H20F2O2Si/c1-9(2,3)14(4,5)13-6-7(12)8(10)11/h7-8,12H,6H2,1-5H3/t7-/m0/s1
InChIKeyRHNLFWVISDYSMV-ZETCQYMHSA-N
MW226.34 g/mol
LogP2.63
Rot. Bonds4

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

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol (PubChem CID 102153916) has the molecular formula C9H20F2O2Si and a molecular weight of 226.34 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol
PubChem CID102153916
Molecular FormulaC9H20F2O2Si
Molecular Weight226.34 g/mol
Exact Mass226.12
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)C(F)F
InChIInChI=1S/C9H20F2O2Si/c1-9(2,3)14(4,5)13-6-7(12)8(10)11/h7-8,12H,6H2,1-5H3/t7-/m0/s1
InChIKeyRHNLFWVISDYSMV-ZETCQYMHSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.63
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)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol (CID 102153916) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol is CC(C)(C)[Si](C)(C)OC[C@H](O)C(F)F.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
The InChIKey is RHNLFWVISDYSMV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20F2O2Si/c1-9(2,3)14(4,5)13-6-7(12)8(10)11/h7-8,12H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol?
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoropropan-2-ol is sourced from PubChem (CID 102153916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).