[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol

C11H22F2O2Si — CID 166561250

IUPAC[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](CO)C1(F)F
InChIInChI=1S/C11H22F2O2Si/c1-10(2,3)16(4,5)15-7-9-8(6-14)11(9,12)13/h8-9,14H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyFYNZNFFGGKNKOI-BDAKNGLRSA-N
MW252.38 g/mol
LogP2.88
Rot. Bonds4

About [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol

[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol (PubChem CID 166561250) has the molecular formula C11H22F2O2Si and a molecular weight of 252.38 g/mol. Its IUPAC name is [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
PubChem CID166561250
Molecular FormulaC11H22F2O2Si
Molecular Weight252.38 g/mol
Exact Mass252.14
IUPAC Name[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](CO)C1(F)F
InChIInChI=1S/C11H22F2O2Si/c1-10(2,3)16(4,5)15-7-9-8(6-14)11(9,12)13/h8-9,14H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyFYNZNFFGGKNKOI-BDAKNGLRSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.88
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 [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol (CID 166561250) is [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol is CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](CO)C1(F)F.
What is the InChIKey of [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
The InChIKey is FYNZNFFGGKNKOI-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22F2O2Si/c1-10(2,3)16(4,5)15-7-9-8(6-14)11(9,12)13/h8-9,14H,6-7H2,1-5H3/t8-,9+/m1/s1.
What are the key properties of [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol has a molecular weight of 252.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 166561250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).