(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol

C12H25FO3Si — CID 70882811

IUPAC(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
SMILESCC(C)(CC[C@H]1OC[C@H](F)C[C@@H]1O)[Si](C)(C)O
InChIInChI=1S/C12H25FO3Si/c1-12(2,17(3,4)15)6-5-11-10(14)7-9(13)8-16-11/h9-11,14-15H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyILEVQFJPBGXIHD-OUAUKWLOSA-N
MW264.41 g/mol
LogP2.23
Rot. Bonds4

About (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol

(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol (PubChem CID 70882811) has the molecular formula C12H25FO3Si and a molecular weight of 264.41 g/mol. Its IUPAC name is (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
PubChem CID70882811
Molecular FormulaC12H25FO3Si
Molecular Weight264.41 g/mol
Exact Mass264.16
IUPAC Name(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
SMILESCC(C)(CC[C@H]1OC[C@H](F)C[C@@H]1O)[Si](C)(C)O
InChIInChI=1S/C12H25FO3Si/c1-12(2,17(3,4)15)6-5-11-10(14)7-9(13)8-16-11/h9-11,14-15H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKeyILEVQFJPBGXIHD-OUAUKWLOSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
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 (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
The IUPAC name of (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol (CID 70882811) is (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol is CC(C)(CC[C@H]1OC[C@H](F)C[C@@H]1O)[Si](C)(C)O.
What is the InChIKey of (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
The InChIKey is ILEVQFJPBGXIHD-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H25FO3Si/c1-12(2,17(3,4)15)6-5-11-10(14)7-9(13)8-16-11/h9-11,14-15H,5-8H2,1-4H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol is sourced from PubChem (CID 70882811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).